Glycoside
GD120279
Name:
2-{4-[3a,6a-dihydroxy-4-(4-hydroxy-3-methoxyphenyl)-hexahydrofuro[3,4-c]furan-1-yl]-2,6-dimethoxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C27H34O14Smiles:
COc1cc(C2OCC3(O)C(c4cc(OC)c(OC5OC(CO)C(O)C(O)C5O)c(OC)c4)OCC23O)ccc1OAglycone:
COc1cc(C2OCC3(O)C(c4cc(OC)c(O)c(OC)c4)OCC23O)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.56 |
| AlogP: | -1.1 | Num_rotatable_bonds: | 8 |
| MolWt: | 582.56 | Num_heavy_atoms: | 41 |
| TPSA: | 206.22 | NumAromaticRings: | 2 |
Unique Aglycone
AD48298
Formula: C21H24O9
Smiles:
COc1cc(C2OCC3(O)C(c4cc(OC)c(O)c(OC)c4)OCC23O)ccc1O| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.43 |
| AlogP: | 1.43 | Num_rotatable_bonds: | 5 |
| MolWt: | 420.41 | Num_heavy_atoms: | 30 |
| TPSA: | 127.07 | NumAromaticRings: | 2 |
