Glycoside
GD010571
Name:
1-(3-methoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-en-1-oneFormula:
C28H34O14Smiles:
COc1cc(C(=O)C=Cc2ccc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc2)ccc1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
COc1cc(C(=O)C=Cc2ccc(O)cc2)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.46 |
| AlogP: | -2.05 | Num_rotatable_bonds: | 10 |
| MolWt: | 594.57 | Num_heavy_atoms: | 42 |
| TPSA: | 225.06 | NumAromaticRings: | 2 |
Unique Aglycone
AD06210
Formula: C16H14O4
Smiles:
COc1cc(C(=O)C=Cc2ccc(O)cc2)ccc1O| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.06 |
| AlogP: | 3.0 | Num_rotatable_bonds: | 4 |
| MolWt: | 270.28 | Num_heavy_atoms: | 20 |
| TPSA: | 66.76 | NumAromaticRings: | 2 |
