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    3.0044   -3.8311    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8015   -3.8311    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.0461    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.1011    7.9547    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.7361    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.6034    9.6162    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.1661    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.7715    8.8161    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.3858    6.7930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.6626    7.4046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.2964   10.5679    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.4944    6.2162    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.0856    5.6816    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.4422    9.5578    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.8658    8.2445    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.2766    5.5011    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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100209  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
162343278

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
2690

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
34

> <PUBCHEM_CACTVS_HBOND_DONOR>
22

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
23

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB8PgAAAAAAAAAAAAAAAAAAAYAAAAA0aJEiQAAAAGCAAAAAGgAACAAAD1SwgAMCCAAABgCAAiBCAAAAAAAgAAAACAAAAAgREAIAAQAiQAAFwAAPAAPA4PwPgAAAAAAAAADAAAYAADAAAQAACAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-[[6-[[6-[[(3S,9R,11R,13R,14S)-17-[(1R,4R)-4-[4,5-dihydroxy-3-[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-5-hydroxy-1,5-dimethyl-hexyl]-11-hydroxy-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxy-tetrahydropyran-2-yl]methoxy]-3,4,5-trihydroxy-tetrahydropyran-2-yl]methoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol

> <PUBCHEM_IUPAC_CAS_NAME>
2-[[6-[[6-[[(3S,9R,11R,13R,14S)-17-[(2R,5R)-5-[[4,5-dihydroxy-3-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxymethyl]-2-oxanyl]oxy]-6-hydroxy-6-methylheptan-2-yl]-11-hydroxy-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxy-2-oxanyl]methoxy]-3,4,5-trihydroxy-2-oxanyl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-[[6-[[6-[[(3<I>S</I>,9<I>R</I>,11<I>R</I>,13<I>R</I>,14<I>S</I>)-17-[(2<I>R</I>,5<I>R</I>)-5-[4,5-dihydroxy-3-[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-6-hydroxy-6-methylheptan-2-yl]-11-hydroxy-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1<I>H</I>-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

> <PUBCHEM_IUPAC_NAME>
2-[[6-[[6-[[(3S,9R,11R,13R,14S)-17-[(2R,5R)-5-[4,5-dihydroxy-3-[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-6-hydroxy-6-methylheptan-2-yl]-11-hydroxy-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-(hydroxymethyl)-6-[[6-[[6-[[(3S,9R,11R,13R,14S)-17-[(2R,5R)-5-[3-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-[[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-methyl-6-oxidanyl-heptan-2-yl]-4,4,9,13,14-pentamethyl-11-oxidanyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-tris(oxidanyl)oxan-2-yl]methoxy]-3,4,5-tris(oxidanyl)oxan-2-yl]methoxy]oxane-3,4,5-triol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-[[6-[[6-[[(3S,9R,11R,13R,14S)-17-[(1R,4R)-4-[4,5-dihydroxy-3-(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-5-hydroxy-1,5-dimethyl-hexyl]-11-hydroxy-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxy-tetrahydropyran-2-yl]methoxy]-3,4,5-trihydroxy-tetrahydropyran-2-yl]methoxy]-6-methylol-tetrahydropyran-3,4,5-triol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C66H112O34/c1-24(9-13-37(63(4,5)88)99-61-55(100-60-54(87)46(79)40(73)30(20-69)94-60)49(82)43(76)33(97-61)23-90-57-51(84)45(78)39(72)29(19-68)93-57)25-15-16-64(6)34-12-10-26-27(66(34,8)35(70)17-65(25,64)7)11-14-36(62(26,2)3)98-59-53(86)48(81)42(75)32(96-59)22-91-58-52(85)47(80)41(74)31(95-58)21-89-56-50(83)44(77)38(71)28(18-67)92-56/h10,24-25,27-61,67-88H,9,11-23H2,1-8H3/t24-,25?,27?,28?,29?,30?,31?,32?,33?,34?,35-,36+,37-,38?,39?,40?,41?,42?,43?,44?,45?,46?,47?,48?,49?,50?,51?,52?,53?,54?,55?,56?,57?,58?,59?,60?,61?,64+,65-,66+/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
LEXMIJUWSYGUOM-QBYSZRTLSA-N

> <PUBCHEM_XLOGP3_AA>
-5.8

> <PUBCHEM_EXACT_MASS>
1448.7035006

> <PUBCHEM_MOLECULAR_FORMULA>
C66H112O34

> <PUBCHEM_MOLECULAR_WEIGHT>
1449.6

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(CCC(C(C)(C)O)OC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)OC3C(C(C(C(O3)CO)O)O)O)C4CCC5(C4(CC(C6(C5CC=C7C6CCC(C7(C)C)OC8C(C(C(C(O8)COC9C(C(C(C(O9)COC1C(C(C(C(O1)CO)O)O)O)O)O)O)O)O)O)C)O)C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
C[C@H](CC[C@H](C(C)(C)O)OC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)OC3C(C(C(C(O3)CO)O)O)O)C4CC[C@@]5([C@@]4(C[C@H]([C@@]6(C5CC=C7C6CC[C@@H](C7(C)C)OC8C(C(C(C(O8)COC9C(C(C(C(O9)COC1C(C(C(C(O1)CO)O)O)O)O)O)O)O)O)O)C)O)C)C

> <PUBCHEM_CACTVS_TPSA>
556

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
1448.7035006

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
100

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
7

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
33

> <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>
42  1  6
71  10  3
77  10  3
78  11  3
73  12  3
75  13  3
87  14  3
79  17  3
80  18  3
81  19  3
55  2  5
62  2  3
82  20  3
85  22  3
86  23  3
95  24  3
88  25  3
91  27  3
93  28  3
61  3  6
70  3  3
96  31  3
97  32  3
99  33  3
35  46  6
36  47  5
37  45  3
38  50  5
39  44  3
43  51  3
48  57  5
64  6  3
68  72  3
65  7  3
74  76  3
83  89  3
84  90  3
69  9  3
92  94  3
98  100  3

$$$$
