Glycoside
GD148528
Name:
3-hydroxy-1-(2-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-2-(4-methoxyphenyl)propan-1-oneFormula:
C22H26O10Smiles:
COc1ccc(C(CO)C(=O)c2ccc(OC3OC(CO)C(O)C(O)C3O)cc2O)cc1Aglycone:
COc1ccc(C(CO)C(=O)c2ccc(O)cc2O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.41 |
| AlogP: | -0.46 | Num_rotatable_bonds: | 8 |
| MolWt: | 450.44 | Num_heavy_atoms: | 32 |
| TPSA: | 166.14 | NumAromaticRings: | 2 |
Unique Aglycone
AD59436
Formula: C16H16O5
Smiles:
COc1ccc(C(CO)C(=O)c2ccc(O)cc2O)cc1| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.19 |
| AlogP: | 2.07 | Num_rotatable_bonds: | 5 |
| MolWt: | 288.3 | Num_heavy_atoms: | 21 |
| TPSA: | 86.99 | NumAromaticRings: | 2 |
