Glycoside
GD007731
Name:
[(3-Hydroxy-3-Methylglutaryl)Methyl]Phenyl-4-O-Beta-D-GlucopyranosideFormula:
C19H26O11Smiles:
CC(O)(CC(=O)O)CC(=O)OCc1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1Aglycone:
CC(O)(CC(=O)O)CC(=O)OCc1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.58 |
| AlogP: | -1.48 | Num_rotatable_bonds: | 9 |
| MolWt: | 430.41 | Num_heavy_atoms: | 30 |
| TPSA: | 183.21 | NumAromaticRings: | 1 |
Unique Aglycone
AD06266
Formula: C13H16O6
Smiles:
CC(O)(CC(=O)O)CC(=O)OCc1ccc(O)cc1| HBA: | 6 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.38 |
| AlogP: | 1.05 | Num_rotatable_bonds: | 6 |
| MolWt: | 268.26 | Num_heavy_atoms: | 19 |
| TPSA: | 104.06 | NumAromaticRings: | 1 |
