Glycoside
GD045422
Name:
1-(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)ethan-1-oneFormula:
C14H18O7Smiles:
CC(=O)c1ccccc1O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1OAglycone:
CC(=O)c1ccccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -0.93 | Num_rotatable_bonds: | 4 |
| MolWt: | 298.29 | Num_heavy_atoms: | 21 |
| TPSA: | 116.45 | NumAromaticRings: | 1 |
Unique Aglycone
AD25263
Formula: C8H8O2
Smiles:
CC(=O)c1ccccc1O| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.59 | Num_rotatable_bonds: | 1 |
| MolWt: | 136.15 | Num_heavy_atoms: | 10 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
