Glycoside
GD031712
Name:
5-hydroxy-6,7-dimethoxy-2-(3-methoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-4H-chromen-4-oneFormula:
C24H26O12Smiles:
COc1cc(-c2cc(=O)c3c(O)c(OC)c(OC)cc3o2)ccc1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
COc1cc(-c2cc(=O)c3c(O)c(OC)c(OC)cc3o2)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | 0.37 | Num_rotatable_bonds: | 7 |
| MolWt: | 506.46 | Num_heavy_atoms: | 36 |
| TPSA: | 177.51 | NumAromaticRings: | 3 |
Unique Aglycone
AD20411
Formula: C18H16O7
Smiles:
COc1cc(-c2cc(=O)c3c(O)c(OC)c(OC)cc3o2)ccc1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 2.9 | Num_rotatable_bonds: | 4 |
| MolWt: | 344.32 | Num_heavy_atoms: | 25 |
| TPSA: | 98.36 | NumAromaticRings: | 3 |
