Glycoside
GD107057
Name:
3-{4-[(7-hydroxy-6-methoxy-2-oxo-2H-chromen-3-yl)oxy]-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl}propanoic acidFormula:
C25H26O13Smiles:
COc1cc2cc(Oc3ccc(CCC(=O)O)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c3)c(=O)oc2cc1OAglycone:
COc1cc2cc(Oc3ccc(CCC(=O)O)c(O)c3)c(=O)oc2cc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.36 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 9 |
| MolWt: | 534.47 | Num_heavy_atoms: | 38 |
| TPSA: | 205.58 | NumAromaticRings: | 3 |
Unique Aglycone
AD44269
Formula: C19H16O8
Smiles:
COc1cc2cc(Oc3ccc(CCC(=O)O)c(O)c3)c(=O)oc2cc1O| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.16 |
| AlogP: | 3.02 | Num_rotatable_bonds: | 6 |
| MolWt: | 372.33 | Num_heavy_atoms: | 27 |
| TPSA: | 126.43 | NumAromaticRings: | 3 |
