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 acidFormula:
C32H40O19Smiles:
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)cc1Aglycone:
O=C(O)CC(O)(CC(=O)OCc1ccc(O)cc1)C(=O)OCc1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther 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)cc1HBA: | 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 |