Glycoside
GD106412
Name:
3-(4-hydroxy-5-methoxy-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-2-[(2-oxo-2H-chromen-7-yl)oxy]propanoic acidFormula:
C25H26O13Smiles:
COc1cc(C[C@H](Oc2ccc3ccc(=O)oc3c2)C(=O)O)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1OAglycone:
COc1cc(CC(Oc2ccc3ccc(=O)oc3c2)C(=O)O)c(O)cc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.36 |
| AlogP: | -0.24 | Num_rotatable_bonds: | 9 |
| MolWt: | 534.47 | Num_heavy_atoms: | 38 |
| TPSA: | 205.58 | NumAromaticRings: | 3 |
Unique Aglycone
AD44176
Formula: C19H16O8
Smiles:
COc1cc(CC(Oc2ccc3ccc(=O)oc3c2)C(=O)O)c(O)cc1O| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.16 |
| AlogP: | 2.29 | Num_rotatable_bonds: | 6 |
| MolWt: | 372.33 | Num_heavy_atoms: | 27 |
| TPSA: | 126.43 | NumAromaticRings: | 3 |
