Glycoside
GD085722
Name:
1-(2-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-2-(4-methoxyphenyl)ethan-1-oneFormula:
C21H24O9Smiles:
COc1ccc(CC(=O)c2ccc(O[C@@H]3O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)cc2O)cc1Aglycone:
COc1ccc(CC(=O)c2ccc(O)cc2O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | 0.0 | Num_rotatable_bonds: | 7 |
| MolWt: | 420.41 | Num_heavy_atoms: | 30 |
| TPSA: | 145.91 | NumAromaticRings: | 2 |
Unique Aglycone
AD11169
Formula: C15H14O4
Smiles:
COc1ccc(CC(=O)c2ccc(O)cc2O)cc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.13 |
| AlogP: | 2.53 | Num_rotatable_bonds: | 4 |
| MolWt: | 258.27 | Num_heavy_atoms: | 19 |
| TPSA: | 66.76 | NumAromaticRings: | 2 |
