Glycoside
...
GD148404

Name:
3-hydroxy-5-oxo-5-[(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methoxy]-3-{[(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methoxy]carbonyl}pentanoic acid

Formula:
C32H40O19

Smiles:
O=C(O)CC(O)(CC(=O)OCc1ccc(OC2OC(CO)C(O)C(O)C2O)cc1)C(=O)OCc1ccc(OC2OC(CO)C(O)C(O)C2O)cc1

Aglycone:
O=C(O)CC(O)(CC(=O)OCc1ccc(O)cc1)C(=O)OCc1ccc(O)cc1

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

Other Identifiers

Properties
HBA: 19 RingCount: 4
HBD: 10 FractionCSP3: 0.53
AlogP: -3.57 Num_rotatable_bonds: 15
MolWt: 728.65 Num_heavy_atoms: 51
TPSA: 308.89 NumAromaticRings: 2

Unique Aglycone
AD59386
Formula: C20H20O9

Smiles:
O=C(O)CC(O)(CC(=O)OCc1ccc(O)cc1)C(=O)OCc1ccc(O)cc1
HBA: 9 RingCount: 2
HBD: 4 FractionCSP3: 0.25
AlogP: 1.48 Num_rotatable_bonds: 9
MolWt: 404.37 Num_heavy_atoms: 29
TPSA: 150.59 NumAromaticRings: 2

Sugarmoiety
SD00019

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