Glycoside
GD092926
Name:
3-(4-chlorophenyl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-oneFormula:
C22H19O8ClSmiles:
O=c1c(-c2ccc(Cl)cc2)coc2cc(O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)ccc12Aglycone:
O=c1c(-c2ccc(Cl)cc2)coc2cc(O)ccc12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.29 |
| AlogP: | 1.29 | Num_rotatable_bonds: | 4 |
| MolWt: | 434.83 | Num_heavy_atoms: | 30 |
| TPSA: | 129.59 | NumAromaticRings: | 3 |
Unique Aglycone
AD40379
Formula: C16H9O3Cl
Smiles:
O=c1c(-c2ccc(Cl)cc2)coc2cc(O)ccc12| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 3.82 | Num_rotatable_bonds: | 1 |
| MolWt: | 272.69 | Num_heavy_atoms: | 19 |
| TPSA: | 50.44 | NumAromaticRings: | 3 |
