Glycoside
GD124661
Name:
1-(2-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-2-(4-methoxyphenyl)ethane-1,2-dioneFormula:
C21H22O10Smiles:
COc1ccc(C(=O)C(=O)c2ccc(OC3OC(CO)C(O)C(O)C3O)cc2O)cc1Aglycone:
COc1ccc(C(=O)C(=O)c2ccc(O)cc2O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | -0.35 | Num_rotatable_bonds: | 7 |
| MolWt: | 434.4 | Num_heavy_atoms: | 31 |
| TPSA: | 162.98 | NumAromaticRings: | 2 |
Unique Aglycone
AD50375
Formula: C15H12O5
Smiles:
COc1ccc(C(=O)C(=O)c2ccc(O)cc2O)cc1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.07 |
| AlogP: | 2.17 | Num_rotatable_bonds: | 4 |
| MolWt: | 272.26 | Num_heavy_atoms: | 20 |
| TPSA: | 83.83 | NumAromaticRings: | 2 |
