Glycoside
GD014547
Name:
3-(4-hydroxy-3-methoxyphenyl)-6-(3-methoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-hexahydrofuro[3,4-c]furan-1-oneFormula:
C26H30O12Smiles:
COc1cc([C@@H]2OC(=O)[C@@H]3[C@H]2CO[C@H]3c2ccc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c(OC)c2)ccc1OAglycone:
COc1cc(C2OC(=O)C3C(c4ccc(O)c(OC)c4)OCC23)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | 0.19 | Num_rotatable_bonds: | 7 |
| MolWt: | 534.51 | Num_heavy_atoms: | 38 |
| TPSA: | 173.6 | NumAromaticRings: | 2 |
Unique Aglycone
AD10681
Formula: C20H20O7
Smiles:
COc1cc(C2OC(=O)C3C(c4ccc(O)c(OC)c4)OCC23)ccc1O| HBA: | 7 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.35 |
| AlogP: | 2.72 | Num_rotatable_bonds: | 4 |
| MolWt: | 372.37 | Num_heavy_atoms: | 27 |
| TPSA: | 94.45 | NumAromaticRings: | 2 |
