Glycoside
GD017724
Name:
1-[3-(2-hydroxyethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl]ethan-1-oneFormula:
C16H22O8Smiles:
CC(=O)c1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(CCO)c1Aglycone:
CC(=O)c1ccc(O)c(CCO)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | -1.4 | Num_rotatable_bonds: | 6 |
| MolWt: | 342.34 | Num_heavy_atoms: | 24 |
| TPSA: | 136.68 | NumAromaticRings: | 1 |
Unique Aglycone
AD12621
Formula: C10H12O3
Smiles:
CC(=O)c1ccc(O)c(CCO)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.3 |
| AlogP: | 1.13 | Num_rotatable_bonds: | 3 |
| MolWt: | 180.2 | Num_heavy_atoms: | 13 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
