Glycoside
GD125005
Name:
2',4',6',Beta-Tetrahydroxychalcone 4'-GlucosideFormula:
C21H22O10Smiles:
O=C(CC(=O)c1c(O)cc(OC2OC(CO)C(O)C(O)C2O)cc1O)c1ccccc1Aglycone:
O=C(CC(=O)c1c(O)cc(O)cc1O)c1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.33 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 7 |
| MolWt: | 434.4 | Num_heavy_atoms: | 31 |
| TPSA: | 173.98 | NumAromaticRings: | 2 |
Unique Aglycone
AD50546
Formula: C15H12O5
Smiles:
O=C(CC(=O)c1c(O)cc(O)cc1O)c1ccccc1| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.07 |
| AlogP: | 2.26 | Num_rotatable_bonds: | 4 |
| MolWt: | 272.26 | Num_heavy_atoms: | 20 |
| TPSA: | 94.83 | NumAromaticRings: | 2 |
