Glycoside
...
GD028897

Name:
None

Formula:
C42H68O16

Smiles:
CC(=O)[C@@H]1CC[C@]2(C)[C@H]1C(=O)C[C@@H]1[C@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@H]5O[C@H](C)[C@H](O)[C@H](O)[C@H]5O)[C@H]4O[C@@H]4O[C@H](C)[C@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@H]3CC[C@]12C

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

Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2OC2OC(C)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 16 RingCount: 7
HBD: 8 FractionCSP3: 0.95
AlogP: 0.33 Num_rotatable_bonds: 8
MolWt: 828.99 Num_heavy_atoms: 58
TPSA: 251.36 NumAromaticRings: 0

Unique Aglycone
AD18837
Formula: C24H38O3

Smiles:
CC(=O)C1CCC2(C)C1C(=O)CC1C3(C)CCC(O)C(C)(C)C3CCC12C
HBA: 3 RingCount: 4
HBD: 1 FractionCSP3: 0.92
AlogP: 4.8 Num_rotatable_bonds: 1
MolWt: 374.57 Num_heavy_atoms: 27
TPSA: 54.37 NumAromaticRings: 0

Sugarmoiety
SD00732

CC1OC(OC2C(O)OC(CO)C(O)C2OC2OC(C)C(O)C(O)C2O)C(O)C(O)C1O