122391230
  -OEChem-04292400322D

153162  0     1  0  0  0  0  0999 V2000
    5.5982    7.6604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0262    2.3059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1602    0.8059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7583    1.3059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7583   -0.6941    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0262   -1.6941    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4281   -0.1941    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2942   -1.6941    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0262   -3.6941    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2942   -4.6941    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5621   -3.6941    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0262   -5.4262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5621   -0.6941    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5621   -4.6941    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0262   -3.6941    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0262   -5.4262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2942   -6.6941    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0263   -7.1582    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5621   -7.6941    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8300   -6.6941    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5263   -8.0242    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6368    8.1572    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6742    5.4297    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.5383    5.9330    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.9346    6.0939    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4062    5.4363    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3362    7.0032    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4101    4.4363    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3253    6.9040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9518    6.1968    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.6780    4.4297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5460    3.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7443    7.1630    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.3061    3.9051    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.8101    4.9263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2981    5.9744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2102    4.4225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9370    6.5728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2852    2.8203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2836    5.4528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2061    5.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4381    3.4085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1560    3.8909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2185    2.2670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0223    6.9768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7220    8.5612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1602    2.8059    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.9148    7.9710    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0000    8.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0262    1.3059    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.8922    0.8059    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.8922   -0.1941    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.1602   -0.1941    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.0262   -0.6941    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.2942   -0.6941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1602   -2.1941    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.1602   -3.1941    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.2942   -3.6941    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.4281   -2.1941    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.4281   -3.1941    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5621   -1.6941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5263   -4.5601    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.4281   -5.1941    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.5262   -4.5601    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.0262   -5.4262    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.4281   -6.1941    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.5263   -6.2922    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.5263   -6.2921    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5621   -6.6941    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.6961   -6.1941    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6961   -5.1941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0262   -7.1582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2234    6.4361    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5895    5.3171    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3964    6.2863    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6779    7.7815    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1478    4.8585    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9415    6.9724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3220    7.5240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3526    6.3563    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0670    4.5350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4682    3.8462    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1493    3.4565    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9463    3.4596    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4980    5.4621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2744    4.6143    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1222    4.3906    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6899    6.4550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8917    6.4427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5918    6.0577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3843    6.1434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6765    2.9382    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0649    2.2408    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8223    5.8671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8693    4.9916    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7449    5.0385    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7407    5.7782    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1373    8.5231    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1302    3.9466    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9000    3.1006    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7460    2.8704    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7673    3.7871    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3628    4.4754    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8157    1.7957    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6139    1.7895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4036    7.0182    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8741    6.3747    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0672    9.0762    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2747    8.9905    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1590    2.1859    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8481    8.5874    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2505    8.9421    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4328    8.6255    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7495    7.8078    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5631    1.6159    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4292    0.4959    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4292    0.1159    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6232    0.1159    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5631   -1.0041    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7583    1.9259    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8956   -1.1691    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6927   -1.1691    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2952   -0.3841    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1602   -1.5741    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4281    0.4259    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1602   -3.8141    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7572   -4.0041    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4281   -1.5741    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8912   -2.8841    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9515   -1.5864    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3500   -2.2767    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8363   -4.0232    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0252   -3.3841    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4281   -4.5741    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1462   -4.5601    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3362   -5.9631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4281   -6.8141    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9063   -6.2922    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1463   -6.2921    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0252   -0.3841    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0252   -7.0041    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1591   -5.8841    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4840   -4.6115    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0855   -5.3018    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6462   -3.6941    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5513   -6.7597    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5513   -7.5568    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3362   -4.8892    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2942   -7.3141    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6462   -7.1582    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0252   -8.0041    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2931   -6.3841    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2162   -8.5612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 27  1  0  0  0  0
 33  1  1  6  0  0  0
 47  2  1  1  0  0  0
 50  2  1  1  0  0  0
  3 50  1  0  0  0  0
  3 53  1  0  0  0  0
 51  4  1  6  0  0  0
  4120  1  0  0  0  0
 52  5  1  1  0  0  0
  5123  1  0  0  0  0
 54  6  1  1  0  0  0
 56  6  1  1  0  0  0
  7 55  1  0  0  0  0
  7125  1  0  0  0  0
  8 56  1  0  0  0  0
  8 59  1  0  0  0  0
 57  9  1  6  0  0  0
 62  9  1  1  0  0  0
 58 10  1  1  0  0  0
 63 10  1  1  0  0  0
 60 11  1  6  0  0  0
 11133  1  0  0  0  0
 12 62  1  0  0  0  0
 12 67  1  0  0  0  0
 13 61  1  0  0  0  0
 13140  1  0  0  0  0
 14 63  1  0  0  0  0
 14 71  1  0  0  0  0
 64 15  1  6  0  0  0
 15145  1  0  0  0  0
 65 16  1  1  0  0  0
 16148  1  0  0  0  0
 66 17  1  6  0  0  0
 17149  1  0  0  0  0
 68 18  1  6  0  0  0
 18150  1  0  0  0  0
 69 19  1  1  0  0  0
 19151  1  0  0  0  0
 70 20  1  6  0  0  0
 20152  1  0  0  0  0
 21 72  1  0  0  0  0
 21153  1  0  0  0  0
 22 33  1  0  0  0  0
 22 46  1  0  0  0  0
 22 98  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 31  1  0  0  0  0
 23 35  1  1  0  0  0
 24 26  1  0  0  0  0
 24 29  1  0  0  0  0
 24 73  1  6  0  0  0
 25 27  1  0  0  0  0
 25 30  1  0  0  0  0
 25 74  1  6  0  0  0
 26 28  1  0  0  0  0
 26 36  1  0  0  0  0
 26 75  1  1  0  0  0
 27 29  1  0  0  0  0
 27 76  1  6  0  0  0
 28 32  1  0  0  0  0
 28 34  1  0  0  0  0
 28 77  1  6  0  0  0
 29 78  1  0  0  0  0
 29 79  1  0  0  0  0
 30 33  1  0  0  0  0
 30 40  1  6  0  0  0
 30 80  1  0  0  0  0
 31 32  1  0  0  0  0
 31 81  1  0  0  0  0
 31 82  1  0  0  0  0
 32 83  1  0  0  0  0
 32 84  1  0  0  0  0
 33 38  1  0  0  0  0
 34 37  1  0  0  0  0
 34 39  1  0  0  0  0
 34 42  1  1  0  0  0
 35 85  1  0  0  0  0
 35 86  1  0  0  0  0
 35 87  1  0  0  0  0
 36 41  1  0  0  0  0
 36 88  1  0  0  0  0
 36 89  1  0  0  0  0
 37 41  2  0  0  0  0
 37 43  1  0  0  0  0
 38 45  1  0  0  0  0
 38 90  1  0  0  0  0
 38 91  1  0  0  0  0
 39 44  1  0  0  0  0
 39 92  1  0  0  0  0
 39 93  1  0  0  0  0
 40 94  1  0  0  0  0
 40 95  1  0  0  0  0
 40 96  1  0  0  0  0
 41 97  1  0  0  0  0
 42 99  1  0  0  0  0
 42100  1  0  0  0  0
 42101  1  0  0  0  0
 43 47  1  0  0  0  0
 43102  1  0  0  0  0
 43103  1  0  0  0  0
 44 47  1  0  0  0  0
 44104  1  0  0  0  0
 44105  1  0  0  0  0
 45 48  1  0  0  0  0
 45106  1  0  0  0  0
 45107  1  0  0  0  0
 46 48  1  0  0  0  0
 46108  1  0  0  0  0
 46109  1  0  0  0  0
 47110  1  0  0  0  0
 48 49  1  6  0  0  0
 48111  1  0  0  0  0
 49112  1  0  0  0  0
 49113  1  0  0  0  0
 49114  1  0  0  0  0
 50 51  1  0  0  0  0
 50115  1  0  0  0  0
 51 52  1  0  0  0  0
 51116  1  0  0  0  0
 52 54  1  0  0  0  0
 52117  1  0  0  0  0
 53 54  1  0  0  0  0
 53 55  1  1  0  0  0
 53118  1  0  0  0  0
 54119  1  0  0  0  0
 55121  1  0  0  0  0
 55122  1  0  0  0  0
 56 57  1  0  0  0  0
 56124  1  0  0  0  0
 57 58  1  0  0  0  0
 57126  1  0  0  0  0
 58 60  1  0  0  0  0
 58127  1  0  0  0  0
 59 60  1  0  0  0  0
 59 61  1  1  0  0  0
 59128  1  0  0  0  0
 60129  1  0  0  0  0
 61130  1  0  0  0  0
 61131  1  0  0  0  0
 62 64  1  0  0  0  0
 62132  1  0  0  0  0
 63 66  1  0  0  0  0
 63134  1  0  0  0  0
 64 65  1  0  0  0  0
 64135  1  0  0  0  0
 65 68  1  0  0  0  0
 65136  1  0  0  0  0
 66 69  1  0  0  0  0
 66137  1  0  0  0  0
 67 68  1  0  0  0  0
 67 72  1  1  0  0  0
 67138  1  0  0  0  0
 68139  1  0  0  0  0
 69 70  1  0  0  0  0
 69141  1  0  0  0  0
 70 71  1  0  0  0  0
 70142  1  0  0  0  0
 71143  1  0  0  0  0
 71144  1  0  0  0  0
 72146  1  0  0  0  0
 72147  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
122391230

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
1910

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
22

> <PUBCHEM_CACTVS_HBOND_DONOR>
13

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
11

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB+PgAAAAAAAAAAAAAAAAAAAaIAAAA8aJEiQAASAGCAAAAAHgAQCAAADxzxgAcCCALABgCAAiBCAAAAAAAgAAAACIAIAAkREAIAgQAuQAAF0ACPAAPw8PwPgAAAAAAAAADAAAQAACAAAYAADAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5R,6R)-2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(1S,2S,4S,5'S,6S,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-16-yl]oxy-tetrahydropyran-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol

> <PUBCHEM_IUPAC_CAS_NAME>
(2S,3R,4S,5S,6R)-2-[[(2S,3R,4S,5R,6R)-2-[[(2R,3R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[[(1S,2S,4S,5'S,6S,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethyl-16-spiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]eicos-18-ene-6,2'-piperidine]yl]oxy]-3-oxanyl]oxy]-5-hydroxy-6-(hydroxymethyl)-4-[[(2S,3R,4S,5R)-3,4,5-trihydroxy-2-oxanyl]oxy]-3-oxanyl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

> <PUBCHEM_IUPAC_NAME_MARKUP>
(2<I>S</I>,3<I>R</I>,4<I>S</I>,5<I>S</I>,6<I>R</I>)-2-[(2<I>S</I>,3<I>R</I>,4<I>S</I>,5<I>R</I>,6<I>R</I>)-2-[(2<I>R</I>,3<I>R</I>,4<I>R</I>,5<I>R</I>,6<I>R</I>)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(1<I>S</I>,2<I>S</I>,4<I>S</I>,5&apos;<I>S</I>,6<I>S</I>,7<I>S</I>,8<I>R</I>,9<I>S</I>,12<I>S</I>,13<I>R</I>,16<I>S</I>)-5&apos;,7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0<SUP>2,9</SUP>.0<SUP>4,8</SUP>.0<SUP>13,18</SUP>]icos-18-ene-6,2&apos;-piperidine]-16-yl]oxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2<I>S</I>,3<I>R</I>,4<I>S</I>,5<I>R</I>)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

> <PUBCHEM_IUPAC_NAME>
(2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5R,6R)-2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(1S,2S,4S,5'S,6S,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-16-yl]oxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-2-[(2R,3R,4R,5R,6R)-2-(hydroxymethyl)-4,5-bis(oxidanyl)-6-[(1S,2S,4S,5'S,6S,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-16-yl]oxy-oxan-3-yl]oxy-5-oxidanyl-4-[(2S,3R,4S,5R)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-oxan-3-yl]oxy-oxane-3,4,5-triol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5R,6R)-2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-2-methylol-6-[(1S,2S,4S,5'S,6S,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]eicos-18-ene-6,2'-piperidine]-16-yl]oxy-tetrahydropyran-3-yl]oxy-5-hydroxy-6-methylol-4-[(2S,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl]oxy-6-methylol-tetrahydropyran-3,4,5-triol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C50H81NO21/c1-20-7-12-50(51-15-20)21(2)32-28(72-50)14-26-24-6-5-22-13-23(8-10-48(22,3)25(24)9-11-49(26,32)4)65-45-40(63)37(60)41(31(18-54)68-45)69-47-43(71-46-39(62)36(59)34(57)29(16-52)66-46)42(35(58)30(17-53)67-47)70-44-38(61)33(56)27(55)19-64-44/h5,20-21,23-47,51-63H,6-19H2,1-4H3/t20-,21-,23-,24+,25-,26-,27+,28-,29+,30+,31+,32-,33-,34+,35+,36-,37+,38+,39+,40+,41-,42-,43+,44-,45+,46-,47-,48-,49-,50-/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
BYMOGFTUZUEFHY-SIUCFGLGSA-N

> <PUBCHEM_XLOGP3_AA>
-1.5

> <PUBCHEM_EXACT_MASS>
1031.53010859

> <PUBCHEM_MOLECULAR_FORMULA>
C50H81NO21

> <PUBCHEM_MOLECULAR_WEIGHT>
1032.2

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)OC9C(C(C(CO9)O)O)O)OC2C(C(C(C(O2)CO)O)O)O)O)O)C)C)C)NC1

> <PUBCHEM_OPENEYE_ISO_SMILES>
C[C@H]1CC[C@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O[C@H]9[C@@H]([C@H]([C@@H](CO9)O)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)C)C)C)NC1

> <PUBCHEM_CACTVS_TPSA>
338

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
1031.53010859

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
72

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
30

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
33  1  6
58  10  5
63  10  5
60  11  6
64  15  6
65  16  5
66  17  6
68  18  6
69  19  5
47  2  5
50  2  5
70  20  6
23  35  5
24  73  6
25  74  6
26  75  5
27  76  6
28  77  6
30  40  6
34  42  5
51  4  6
48  49  6
52  5  5
53  55  5
59  61  5
54  6  5
56  6  5
67  72  5
57  9  6
62  9  5

$$$$
