Glycoside
...
GD008915

Name:
None

Formula:
C30H42O9

Smiles:
C[C@@H]1CCC(=O)[C@]12C[C@H](C(C)(C)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OC(=O)C=Cc1ccccc1)CC[C@]2(C)O

Aglycone:
CC1CCC(=O)C12CC(C(C)(C)O)CCC2(C)O.O=C(O)C=Cc1ccccc1

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

Other Identifiers

Properties
HBA: 9 RingCount: 4
HBD: 4 FractionCSP3: 0.67
AlogP: 2.38 Num_rotatable_bonds: 7
MolWt: 546.66 Num_heavy_atoms: 39
TPSA: 142.75 NumAromaticRings: 1

Unique Aglycone
AD00362
Formula: C9H8O2

Smiles:
O=C(O)C=Cc1ccccc1
HBA: 2 RingCount: 1
HBD: 1 FractionCSP3: 0.0
AlogP: 1.78 Num_rotatable_bonds: 2
MolWt: 148.16 Num_heavy_atoms: 11
TPSA: 37.3 NumAromaticRings: 1
AD07061
Formula: C15H26O3

Smiles:
CC1CCC(=O)C12CC(C(C)(C)O)CCC2(C)O
HBA: 3 RingCount: 2
HBD: 2 FractionCSP3: 0.93
AlogP: 2.29 Num_rotatable_bonds: 1
MolWt: 254.37 Num_heavy_atoms: 18
TPSA: 57.53 NumAromaticRings: 0

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O