Glycoside
...
GD157636

Name:
None

Formula:
C40H60O18

Smiles:
CC(=O)OCC1OC(OC2CC(C)=CCOC(=O)CC(C)(O)CC(=O)OCC3OC(OC(=O)C4=CCCC5C4(C)CCC(C)C25C)C(O)C(O)C3O)C(O)C(O)C1O

Aglycone:
CC1=CCOC(=O)CC(C)(O)CC(=O)OCC2OC(OC(=O)C3=CCCC4C3(C)CCC(C)C4(C)C(O)C1)C(O)C(O)C2O.COC(C)=O

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 18 RingCount: 5
HBD: 7 FractionCSP3: 0.8
AlogP: -0.16 Num_rotatable_bonds: 4
MolWt: 828.9 Num_heavy_atoms: 58
TPSA: 274.5 NumAromaticRings: 0

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD48314
Formula: C32H48O12

Smiles:
CC1=CCOC(=O)CC(C)(O)CC(=O)OCC2OC(OC(=O)C3=CCCC4C3(C)CCC(C)C4(C)C(O)C1)C(O)C(O)C2O
HBA: 12 RingCount: 4
HBD: 5 FractionCSP3: 0.78
AlogP: 1.44 Num_rotatable_bonds: 0
MolWt: 624.72 Num_heavy_atoms: 44
TPSA: 189.28 NumAromaticRings: 0

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O