Glycoside
GD140455
Name:
2-hydroxy-4-oxo-2-{2-oxo-2-[(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methoxy]ethyl}-4-[(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methoxy]butanoic acidFormula:
C32H40O19Smiles:
O=C(CC(O)(CC(=O)OCc1ccc(OC2OC(CO)C(O)C(O)C2O)cc1)C(=O)O)OCc1ccc(OC2OC(CO)C(O)C(O)C2O)cc1Aglycone:
O=C(CC(O)(CC(=O)OCc1ccc(O)cc1)C(=O)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
AD56635
Formula: C20H20O9
Smiles:
O=C(CC(O)(CC(=O)OCc1ccc(O)cc1)C(=O)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 |
