Glycoside
GD116560
Name:
3-benzyl-3-hydroxy-4-oxo-4-[(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methoxy]butanoic acidFormula:
C24H28O11Smiles:
O=C(O)CC(O)(Cc1ccccc1)C(=O)OCc1ccc(OC2OC(CO)C(O)C(O)C2O)cc1Aglycone:
O=C(O)CC(O)(Cc1ccccc1)C(=O)OCc1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.42 |
| AlogP: | -0.64 | Num_rotatable_bonds: | 10 |
| MolWt: | 492.48 | Num_heavy_atoms: | 35 |
| TPSA: | 183.21 | NumAromaticRings: | 2 |
Unique Aglycone
AD46307
Formula: C18H18O6
Smiles:
O=C(O)CC(O)(Cc1ccccc1)C(=O)OCc1ccc(O)cc1| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.22 |
| AlogP: | 1.88 | Num_rotatable_bonds: | 7 |
| MolWt: | 330.34 | Num_heavy_atoms: | 24 |
| TPSA: | 104.06 | NumAromaticRings: | 2 |
