21868678
  -OEChem-04282423192D

150156  0     1  0  0  0  0  0999 V2000
   11.1972    3.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    0.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    3.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    0.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    6.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -2.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -2.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    2.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292    2.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    5.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    6.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    5.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -5.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -0.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   -0.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    2.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -3.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -3.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -6.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    8.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292   -0.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    9.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292    8.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -5.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   -3.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -7.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292    5.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -5.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -6.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -8.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    3.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -9.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    2.9050    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.3312    2.4050    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.4651    5.9050    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.4651   -0.0950    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.0632    2.4050    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.3312    1.4050    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.3312    5.4050    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.3312    4.4050    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.5991    5.4050    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.5991   -0.5950    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.5991    4.4050    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.0632    1.4050    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.3312   -0.5950    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.5991   -1.5950    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.3312   -1.5950    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.7331   -3.0950    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.8671   -3.5950    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.3312    7.4050    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.7331    3.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -3.5950    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.8671   -4.5950    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.3312    8.4050    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.9292    0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    8.9050    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.0632    8.4050    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.5991   -4.5950    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.1972   -2.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632    7.4050    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0010   -5.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    2.4050    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.8671    1.4050    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0010    0.9050    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.1350    1.4050    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.1350    2.4050    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.9292    6.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -6.5950    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.2690   -6.0950    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.4030   -6.5950    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.4030   -7.5950    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.2690   -8.0950    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.2690    2.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -9.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7341    3.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    3.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    6.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6002    2.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    0.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    6.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8681    4.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    5.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    3.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632    0.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8681   -0.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -2.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -2.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -2.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    6.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5210    4.4876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1225    3.7973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -2.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -5.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    9.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5398    0.7973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1413    1.4876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7341    9.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6002    8.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -5.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8078   -2.2027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4092   -1.5124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632    6.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    2.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4662    2.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7341    5.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7890   -4.5124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3905   -5.2027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    6.5250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    3.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7341   -0.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    3.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5398    6.7973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1413    7.4876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -5.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -5.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0021   -3.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9399   -6.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    9.5250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -8.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059   -8.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4662   -0.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7341   10.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4662    8.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -5.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7341   -3.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6584    3.0127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0569    2.3224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700    1.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6584   -8.9873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0569   -9.6776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4662    5.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -6.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -8.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    4.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350  -10.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 37  1  0  0  0  0
  1 44  1  0  0  0  0
  2 40  1  0  0  0  0
  2 42  1  0  0  0  0
  3 44  1  0  0  0  0
  3 47  1  0  0  0  0
  4 42  1  0  0  0  0
  4 48  1  0  0  0  0
  5 39  1  0  0  0  0
  5 54  1  0  0  0  0
  6 50  1  0  0  0  0
  6 51  1  0  0  0  0
  7 50  1  0  0  0  0
  7 52  1  0  0  0  0
  8 38  1  0  0  0  0
  8110  1  0  0  0  0
  9 41  1  0  0  0  0
  9111  1  0  0  0  0
 10 43  1  0  0  0  0
 10112  1  0  0  0  0
 11 54  1  0  0  0  0
 11 64  1  0  0  0  0
 12 45  1  0  0  0  0
 12115  1  0  0  0  0
 13 57  1  0  0  0  0
 13 62  1  0  0  0  0
 14 46  1  0  0  0  0
 14117  1  0  0  0  0
 15 49  1  0  0  0  0
 15118  1  0  0  0  0
 16 55  1  0  0  0  0
 16 66  1  0  0  0  0
 17 53  1  0  0  0  0
 17126  1  0  0  0  0
 18 56  1  0  0  0  0
 18128  1  0  0  0  0
 19 66  1  0  0  0  0
 19 70  1  0  0  0  0
 20 65  1  0  0  0  0
 20 72  1  0  0  0  0
 21 58  1  0  0  0  0
 21130  1  0  0  0  0
 22 59  1  0  0  0  0
 22133  1  0  0  0  0
 23 60  1  0  0  0  0
 23134  1  0  0  0  0
 24 61  1  0  0  0  0
 24135  1  0  0  0  0
 25 62  1  0  0  0  0
 25136  1  0  0  0  0
 26 63  1  0  0  0  0
 26137  1  0  0  0  0
 27 72  1  0  0  0  0
 27 76  1  0  0  0  0
 28 67  1  0  0  0  0
 28140  1  0  0  0  0
 29 68  1  0  0  0  0
 29143  1  0  0  0  0
 30 69  1  0  0  0  0
 30144  1  0  0  0  0
 31 71  1  0  0  0  0
 31145  1  0  0  0  0
 32 73  1  0  0  0  0
 32146  1  0  0  0  0
 33 74  1  0  0  0  0
 33147  1  0  0  0  0
 34 75  1  0  0  0  0
 34148  1  0  0  0  0
 35 77  1  0  0  0  0
 35149  1  0  0  0  0
 36 78  1  0  0  0  0
 36150  1  0  0  0  0
 37 38  1  0  0  0  0
 37 41  1  0  0  0  0
 37 79  1  0  0  0  0
 38 42  1  0  0  0  0
 38 80  1  0  0  0  0
 39 43  1  0  0  0  0
 39 45  1  0  0  0  0
 39 81  1  0  0  0  0
 40 46  1  0  0  0  0
 40 49  1  0  0  0  0
 40 82  1  0  0  0  0
 41 48  1  0  0  0  0
 41 83  1  0  0  0  0
 42 84  1  0  0  0  0
 43 44  1  0  0  0  0
 43 85  1  0  0  0  0
 44 86  1  0  0  0  0
 45 47  1  0  0  0  0
 45 87  1  0  0  0  0
 46 50  1  0  0  0  0
 46 88  1  0  0  0  0
 47 55  1  0  0  0  0
 47 89  1  0  0  0  0
 48 59  1  0  0  0  0
 48 90  1  0  0  0  0
 49 51  1  0  0  0  0
 49 91  1  0  0  0  0
 50 92  1  0  0  0  0
 51 63  1  0  0  0  0
 51 93  1  0  0  0  0
 52 53  1  0  0  0  0
 52 56  1  0  0  0  0
 52 94  1  0  0  0  0
 53 57  1  0  0  0  0
 53 95  1  0  0  0  0
 54 58  1  0  0  0  0
 54 96  1  0  0  0  0
 55 97  1  0  0  0  0
 55 98  1  0  0  0  0
 56 62  1  0  0  0  0
 56 99  1  0  0  0  0
 57 65  1  0  0  0  0
 57100  1  0  0  0  0
 58 60  1  0  0  0  0
 58101  1  0  0  0  0
 59102  1  0  0  0  0
 59103  1  0  0  0  0
 60 61  1  0  0  0  0
 60104  1  0  0  0  0
 61 64  1  0  0  0  0
 61105  1  0  0  0  0
 62106  1  0  0  0  0
 63107  1  0  0  0  0
 63108  1  0  0  0  0
 64 71  1  0  0  0  0
 64109  1  0  0  0  0
 65113  1  0  0  0  0
 65114  1  0  0  0  0
 66 67  1  0  0  0  0
 66116  1  0  0  0  0
 67 68  1  0  0  0  0
 67119  1  0  0  0  0
 68 69  1  0  0  0  0
 68120  1  0  0  0  0
 69 70  1  0  0  0  0
 69121  1  0  0  0  0
 70 77  1  0  0  0  0
 70122  1  0  0  0  0
 71123  1  0  0  0  0
 71124  1  0  0  0  0
 72 73  1  0  0  0  0
 72125  1  0  0  0  0
 73 74  1  0  0  0  0
 73127  1  0  0  0  0
 74 75  1  0  0  0  0
 74129  1  0  0  0  0
 75 76  1  0  0  0  0
 75131  1  0  0  0  0
 76 78  1  0  0  0  0
 76132  1  0  0  0  0
 77138  1  0  0  0  0
 77139  1  0  0  0  0
 78141  1  0  0  0  0
 78142  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
21868678

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
1820

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
36

> <PUBCHEM_CACTVS_HBOND_DONOR>
23

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
19

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB8PgAAAAAAAAAAAAAAAAAAAAAAAAAkSJEiQAAAAAAAAAAAGgAACAAACBSwgAMACAAABgAAAAAAAAAAAAAAAAAAAAAAAAAREAIAAAAiQAAFAAAHAAHAYAwAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-[[4-[4-[4-[3,5-dihydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-3,5,6-trihydroxy-tetrahydropyran-2-yl]methoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol

> <PUBCHEM_IUPAC_CAS_NAME>
2-[[4-[[4-[[4-[[3,5-dihydroxy-4-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxymethyl]-2-oxanyl]oxy]-3,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-3,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-3,5,6-trihydroxy-2-oxanyl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-[[4-[4-[4-[3,5-dihydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5,6-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

> <PUBCHEM_IUPAC_NAME>
2-[[4-[4-[4-[3,5-dihydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5,6-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-(hydroxymethyl)-6-[[4-[6-(hydroxymethyl)-4-[6-(hydroxymethyl)-4-[4-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-[[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,5-bis(oxidanyl)oxan-2-yl]oxy-3,5-bis(oxidanyl)oxan-2-yl]oxy-3,5-bis(oxidanyl)oxan-2-yl]oxy-3,5,6-tris(oxidanyl)oxan-2-yl]methoxy]oxane-3,4,5-triol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-[[4-[4-[4-[3,5-dihydroxy-4-(3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl)oxy-6-[(3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl)oxymethyl]tetrahydropyran-2-yl]oxy-3,5-dihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-3,5-dihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-3,5,6-trihydroxy-tetrahydropyran-2-yl]methoxy]-6-methylol-tetrahydropyran-3,4,5-triol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C42H72O36/c43-1-8-15(48)22(55)25(58)37(69-8)66-6-13-20(53)32(28(61)36(65)68-13)75-40-29(62)33(18(51)11(4-46)72-40)77-41-30(63)34(19(52)12(5-47)73-41)78-42-31(64)35(76-39-27(60)24(57)17(50)10(3-45)71-39)21(54)14(74-42)7-67-38-26(59)23(56)16(49)9(2-44)70-38/h8-65H,1-7H2

> <PUBCHEM_IUPAC_INCHIKEY>
MAXBMUKIXLNXGX-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
-13.3

> <PUBCHEM_EXACT_MASS>
1152.3803286

> <PUBCHEM_MOLECULAR_FORMULA>
C42H72O36

> <PUBCHEM_MOLECULAR_WEIGHT>
1153.0

> <PUBCHEM_OPENEYE_CAN_SMILES>
C(C1C(C(C(C(O1)OCC2C(C(C(C(O2)O)O)OC3C(C(C(C(O3)CO)O)OC4C(C(C(C(O4)CO)O)OC5C(C(C(C(O5)COC6C(C(C(C(O6)CO)O)O)O)O)OC7C(C(C(C(O7)CO)O)O)O)O)O)O)O)O)O)O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C(C1C(C(C(C(O1)OCC2C(C(C(C(O2)O)O)OC3C(C(C(C(O3)CO)O)OC4C(C(C(C(O4)CO)O)OC5C(C(C(C(O5)COC6C(C(C(C(O6)CO)O)O)O)O)OC7C(C(C(C(O7)CO)O)O)O)O)O)O)O)O)O)O)O

> <PUBCHEM_CACTVS_TPSA>
585

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
1152.3803286

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
78

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
35

> <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>
37  1  3
44  1  3
43  10  3
45  12  3
46  14  3
49  15  3
66  16  3
53  17  3
56  18  3
40  2  3
42  2  3
72  20  3
58  21  3
60  23  3
61  24  3
62  25  3
67  28  3
68  29  3
69  30  3
73  32  3
74  33  3
75  34  3
47  55  3
48  59  3
39  5  3
54  5  3
51  63  3
57  65  3
64  71  3
50  7  3
52  7  3
70  77  3
76  78  3
38  8  3
41  9  3

$$$$
