Glycoside
...
GD034915

Name:
1-acetyl-1,3a,3b-trihydroxy-7-({4-hydroxy-5-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-11-yl 3,4-dimethylpent-2-enoate

Formula:
C41H64O13

Smiles:
CO[C@@H]1C[C@H](O[C@H]2[C@H](C)O[C@@H](O[C@@H]3CC[C@]4(C)C(=CC[C@]5(O)[C@H]4C[C@H](OC(=O)C=C(C)C(C)C)[C@]4(C)[C@](O)(C(C)=O)CC[C@]54O)C3)C[C@H]2O)O[C@H](C)[C@H]1O

Aglycone:
CC(=O)C1(O)CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(OC(=O)C=C(C)C(C)C)C12C

Sugarmoiety:
COC1CC(OC2C(O)CC(O)OC2C)OC(C)C1O

Other Identifiers

Properties
HBA: 13 RingCount: 6
HBD: 5 FractionCSP3: 0.85
AlogP: 3.4 Num_rotatable_bonds: 9
MolWt: 764.95 Num_heavy_atoms: 54
TPSA: 190.67 NumAromaticRings: 0

Unique Aglycone
AD11904
Formula: C28H42O7

Smiles:
CC(=O)C1(O)CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(OC(=O)C=C(C)C(C)C)C12C
HBA: 7 RingCount: 4
HBD: 4 FractionCSP3: 0.79
AlogP: 2.98 Num_rotatable_bonds: 4
MolWt: 490.64 Num_heavy_atoms: 35
TPSA: 124.29 NumAromaticRings: 0

Sugarmoiety
SD01108

COC1CC(OC2C(O)CC(O)OC2C)OC(C)C1O