Glycoside
GD008470
Name:
4-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)butan-2-oneFormula:
C16H22O7Smiles:
CC(=O)CCc1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1Aglycone:
CC(=O)CCc1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.56 |
| AlogP: | -0.61 | Num_rotatable_bonds: | 6 |
| MolWt: | 326.35 | Num_heavy_atoms: | 23 |
| TPSA: | 116.45 | NumAromaticRings: | 1 |
Unique Aglycone
AD06762
Formula: C10H12O2
Smiles:
CC(=O)CCc1ccc(O)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.3 |
| AlogP: | 1.91 | Num_rotatable_bonds: | 3 |
| MolWt: | 164.2 | Num_heavy_atoms: | 12 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
