Glycoside
...
GD032727

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

Formula:
C42H70O15

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

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

Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 15 RingCount: 6
HBD: 10 FractionCSP3: 0.93
AlogP: 0.3 Num_rotatable_bonds: 11
MolWt: 815.01 Num_heavy_atoms: 57
TPSA: 256.29 NumAromaticRings: 0

Unique Aglycone
AD09367
Formula: C30H50O5

Smiles:
C=C(C)C(=O)CCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CC(O)C(O)C(C)(C)C3CCC12C
HBA: 5 RingCount: 4
HBD: 4 FractionCSP3: 0.9
AlogP: 4.65 Num_rotatable_bonds: 5
MolWt: 490.73 Num_heavy_atoms: 35
TPSA: 97.99 NumAromaticRings: 0

Sugarmoiety
SD00070

OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O