Glycoside
GD099576
Name:
5,7-dimethoxy-3-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-4H-chromen-4-oneFormula:
C23H24O10Smiles:
COc1cc(OC)c2c(=O)c(-c3ccc(O[C@@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)cc3)coc2c1Aglycone:
COc1cc(OC)c2c(=O)c(-c3ccc(O)cc3)coc2c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.35 |
| AlogP: | 0.66 | Num_rotatable_bonds: | 6 |
| MolWt: | 460.44 | Num_heavy_atoms: | 33 |
| TPSA: | 148.05 | NumAromaticRings: | 3 |
Unique Aglycone
AD42300
Formula: C17H14O5
Smiles:
COc1cc(OC)c2c(=O)c(-c3ccc(O)cc3)coc2c1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 3.18 | Num_rotatable_bonds: | 3 |
| MolWt: | 298.29 | Num_heavy_atoms: | 22 |
| TPSA: | 68.9 | NumAromaticRings: | 3 |
