Glycoside
GD076665
Name:
3-(6-methoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1-benzofuran-5-yl)propanoic acidFormula:
C18H22O10Smiles:
COc1cc2occc2c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1CCC(=O)OAglycone:
COc1cc2occc2c(O)c1CCC(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -0.36 | Num_rotatable_bonds: | 7 |
| MolWt: | 398.36 | Num_heavy_atoms: | 28 |
| TPSA: | 159.05 | NumAromaticRings: | 2 |
Unique Aglycone
AD35291
Formula: C12H12O5
Smiles:
COc1cc2occc2c(O)c1CCC(=O)O| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 2.16 | Num_rotatable_bonds: | 4 |
| MolWt: | 236.22 | Num_heavy_atoms: | 17 |
| TPSA: | 79.9 | NumAromaticRings: | 2 |
