Glycoside
GD004940
Name:
1-(3,4-Dihydroxyphenyl)-2-(3,5-Dihydroxyphenyl)Ethane; 4-Me Ether, 3'-O-β-D-GlucopyranosideFormula:
C21H26O9Smiles:
COc1ccc(CCc2cc(O)cc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c2)cc1OAglycone:
COc1ccc(CCc2cc(O)cc(O)c2)cc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.43 |
| AlogP: | 0.07 | Num_rotatable_bonds: | 7 |
| MolWt: | 422.43 | Num_heavy_atoms: | 30 |
| TPSA: | 149.07 | NumAromaticRings: | 2 |
Unique Aglycone
AD04252
Formula: C15H16O4
Smiles:
COc1ccc(CCc2cc(O)cc(O)c2)cc1O| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.2 |
| AlogP: | 2.6 | Num_rotatable_bonds: | 4 |
| MolWt: | 260.29 | Num_heavy_atoms: | 19 |
| TPSA: | 69.92 | NumAromaticRings: | 2 |
