156620285
  -OEChem-04282423272D

 88 92  0     1  0  0  0  0  0999 V2000
    4.2690    1.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    3.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    2.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    1.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    1.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    3.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    4.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    4.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    3.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -0.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292    0.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -2.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292   -1.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -4.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   -2.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.1550    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1350    3.1550    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5991    3.1550    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0010    3.6550    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.8671    3.1550    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.4651    3.6550    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2690    0.6550    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4030    0.1550    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2690   -1.3450    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.4030   -0.8450    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.3312    3.1550    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.3312    2.1550    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0010    1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    2.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    0.6550    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1350   -2.8450    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.0632    0.1550    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0010   -2.3450    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.8671   -2.8450    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.0632   -0.8450    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.3312    0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -3.8450    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.1972   -1.3450    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0010   -4.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.5350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    3.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    2.8450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    3.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    3.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059   -1.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    3.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8681    2.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6025    1.1800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3996    1.1800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9885    2.2627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3871    1.5724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3471   -1.4276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7456   -0.7373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    0.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632    0.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380   -2.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040   -3.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6002   -0.5350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1191    0.7376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7206    0.0473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -4.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -1.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6025   -4.8200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3996   -4.8200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    4.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0021    4.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7341    3.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4662    0.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380   -1.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700   -2.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292   -1.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -4.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -2.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 22  1  1  1  0  0  0
 28  1  1  6  0  0  0
 24  2  1  1  0  0  0
 26  2  1  6  0  0  0
  3 26  1  0  0  0  0
  3 34  1  0  0  0  0
  4 28  1  0  0  0  0
  4 36  1  0  0  0  0
  5 33  1  0  0  0  0
  5 35  1  0  0  0  0
  6 30  1  0  0  0  0
 38  6  1  1  0  0  0
 33  7  1  6  0  0  0
 37  7  1  1  0  0  0
 23  8  1  6  0  0  0
  8 77  1  0  0  0  0
 25  9  1  1  0  0  0
  9 78  1  0  0  0  0
 27 10  1  6  0  0  0
 10 79  1  0  0  0  0
 11 38  1  0  0  0  0
 11 46  1  0  0  0  0
 29 12  1  1  0  0  0
 12 80  1  0  0  0  0
 31 13  1  6  0  0  0
 13 81  1  0  0  0  0
 32 14  1  1  0  0  0
 14 82  1  0  0  0  0
 15 43  1  0  0  0  0
 15 45  1  0  0  0  0
 39 16  1  6  0  0  0
 16 83  1  0  0  0  0
 40 17  1  6  0  0  0
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 42 19  1  1  0  0  0
 19 86  1  0  0  0  0
 44 20  1  6  0  0  0
 20 87  1  0  0  0  0
 21 45  1  0  0  0  0
 21 88  1  0  0  0  0
 22 23  1  0  0  0  0
 22 34  1  0  0  0  0
 22 47  1  0  0  0  0
 23 25  1  0  0  0  0
 23 48  1  0  0  0  0
 24 27  1  0  0  0  0
 24 35  1  0  0  0  0
 24 49  1  0  0  0  0
 25 26  1  0  0  0  0
 25 50  1  0  0  0  0
 26 51  1  0  0  0  0
 27 32  1  0  0  0  0
 27 52  1  0  0  0  0
 28 29  1  0  0  0  0
 28 53  1  0  0  0  0
 29 31  1  0  0  0  0
 29 55  1  0  0  0  0
 30 31  1  0  0  0  0
 30 36  1  0  0  0  0
 30 54  1  0  0  0  0
 31 56  1  0  0  0  0
 32 33  1  0  0  0  0
 32 57  1  0  0  0  0
 33 58  1  0  0  0  0
 34 59  1  0  0  0  0
 34 60  1  0  0  0  0
 35 61  1  0  0  0  0
 35 62  1  0  0  0  0
 36 63  1  0  0  0  0
 36 64  1  0  0  0  0
 37 39  1  0  0  0  0
 37 43  1  0  0  0  0
 37 65  1  0  0  0  0
 38 40  1  0  0  0  0
 38 66  1  0  0  0  0
 39 42  1  0  0  0  0
 39 67  1  0  0  0  0
 40 41  1  0  0  0  0
 40 68  1  0  0  0  0
 41 44  1  0  0  0  0
 41 69  1  0  0  0  0
 42 45  1  0  0  0  0
 42 70  1  0  0  0  0
 43 71  1  0  0  0  0
 43 72  1  0  0  0  0
 44 46  1  0  0  0  0
 44 73  1  0  0  0  0
 45 74  1  0  0  0  0
 46 75  1  0  0  0  0
 46 76  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
156620285

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
965

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
21

> <PUBCHEM_CACTVS_HBOND_DONOR>
12

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
8

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB4PgAAAAAAAAAAAAAAAAAAAAAAAAAkSJEiQAAAAAAAAAAAGgAACAAACBSwgAMACAAABgAAAAAAAAAAAAAAAAAAAAAAAAAREAIAAAAiQAAFAAAHAADAIAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(2S,3R,4S,5R)-2-[(4R,5R,6S)-6-[(3R,4R,5R,6S)-6-[(3R,4R,5R,6S)-4,5-dihydroxy-6-[(3R,4R,5R)-4,5,6-trihydroxytetrahydropyran-3-yl]oxy-tetrahydropyran-3-yl]oxy-4,5-dihydroxy-tetrahydropyran-3-yl]oxy-4,5-dihydroxy-tetrahydropyran-3-yl]oxytetrahydropyran-3,4,5-triol

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

> <PUBCHEM_IUPAC_NAME_MARKUP>
(2<I>S</I>,3<I>R</I>,4<I>S</I>,5<I>R</I>)-2-[(4<I>R</I>,5<I>R</I>,6<I>S</I>)-6-[(3<I>R</I>,4<I>R</I>,5<I>R</I>,6<I>S</I>)-6-[(3<I>R</I>,4<I>R</I>,5<I>R</I>,6<I>S</I>)-4,5-dihydroxy-6-[(3<I>R</I>,4<I>R</I>,5<I>R</I>)-4,5,6-trihydroxyoxan-3-yl]oxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxyoxane-3,4,5-triol

> <PUBCHEM_IUPAC_NAME>
(2S,3R,4S,5R)-2-[(4R,5R,6S)-6-[(3R,4R,5R,6S)-6-[(3R,4R,5R,6S)-4,5-dihydroxy-6-[(3R,4R,5R)-4,5,6-trihydroxyoxan-3-yl]oxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxyoxane-3,4,5-triol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(2S,3R,4S,5R)-2-[(4R,5R,6S)-6-[(3R,4R,5R,6S)-6-[(3R,4R,5R,6S)-4,5-bis(oxidanyl)-6-[(3R,4R,5R)-4,5,6-tris(oxidanyl)oxan-3-yl]oxy-oxan-3-yl]oxy-4,5-bis(oxidanyl)oxan-3-yl]oxy-4,5-bis(oxidanyl)oxan-3-yl]oxyoxane-3,4,5-triol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(2S,3R,4S,5R)-2-[(4R,5R,6S)-6-[(3R,4R,5R,6S)-6-[(3R,4R,5R,6S)-4,5-dihydroxy-6-[(3R,4R,5R)-4,5,6-trihydroxytetrahydropyran-3-yl]oxy-tetrahydropyran-3-yl]oxy-4,5-dihydroxy-tetrahydropyran-3-yl]oxy-4,5-dihydroxy-tetrahydropyran-3-yl]oxytetrahydropyran-3,4,5-triol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C25H42O21/c26-6-1-39-22(17(33)11(6)27)44-8-3-41-24(19(35)13(8)29)46-10-5-42-25(20(36)15(10)31)45-9-4-40-23(18(34)14(9)30)43-7-2-38-21(37)16(32)12(7)28/h6-37H,1-5H2/t6-,7-,8?,9-,10-,11+,12+,13+,14+,15+,16-,17-,18-,19-,20-,21?,22+,23+,24+,25+/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
LFFQNKFIEIYIKL-JKYWJTOBSA-N

> <PUBCHEM_XLOGP3_AA>
-8.6

> <PUBCHEM_EXACT_MASS>
678.22185834

> <PUBCHEM_MOLECULAR_FORMULA>
C25H42O21

> <PUBCHEM_MOLECULAR_WEIGHT>
678.6

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1C(C(C(C(O1)OC2COC(C(C2O)O)OC3COC(C(C3O)O)OC4COC(C(C4O)O)OC5COC(C(C5O)O)O)O)O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1[C@H]([C@@H]([C@H]([C@@H](O1)OC2CO[C@H]([C@@H]([C@H]2O)O)O[C@@H]3CO[C@H]([C@@H]([C@H]3O)O)O[C@@H]4CO[C@H]([C@@H]([C@H]4O)O)O[C@@H]5COC([C@@H]([C@H]5O)O)O)O)O)O

> <PUBCHEM_CACTVS_TPSA>
326

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
678.22185834

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
46

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
18

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
2

> <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>
22  1  5
28  1  6
27  10  6
29  12  5
31  13  6
32  14  5
39  16  6
40  17  6
41  18  5
42  19  5
24  2  5
26  2  6
44  20  6
45  21  3
30  6  3
38  6  5
33  7  6
37  7  5
23  8  6
25  9  5

$$$$
