Glycoside
...
GD035819

Name:
2-{[2-(7-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-8,11-dihydroxy-3a,3b,6,6,9a-pentamethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl)-6-hydroperoxy-6-methylhept-4-en-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:
C48H82O21

Smiles:
CC(C)(C=CC[C@@](C)(O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@@H]1CC[C@]2(C)[C@H]1[C@H](O)C[C@@H]1[C@]3(C)C[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@H]3CC[C@]12C)OO

Aglycone:
CC(C)(C=CCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CC(O)C(O)C(C)(C)C3CCC12C)OO

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 21 RingCount: 7
HBD: 14 FractionCSP3: 0.96
AlogP: -1.59 Num_rotatable_bonds: 14
MolWt: 995.16 Num_heavy_atoms: 69
TPSA: 347.83 NumAromaticRings: 0

Unique Aglycone
AD09992
Formula: C30H52O6

Smiles:
CC(C)(C=CCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CC(O)C(O)C(C)(C)C3CCC12C)OO
HBA: 6 RingCount: 4
HBD: 5 FractionCSP3: 0.93
AlogP: 4.94 Num_rotatable_bonds: 5
MolWt: 508.74 Num_heavy_atoms: 36
TPSA: 110.38 NumAromaticRings: 0

Sugarmoiety
SD00069

OCC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O