Glycoside
GD119043
Name:
2-[(6-{4-[4-(3,4-dimethoxyphenyl)-hexahydrofuro[3,4-c]furan-1-yl]-2-methoxyphenoxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C33H44O16Smiles:
COc1ccc(C2OCC3C(c4ccc(OC5OC(CO)C(OC6OC(CO)C(O)C(O)C6O)C(O)C5O)c(OC)c4)OCC23)cc1OCAglycone:
COc1cc(C2OCC3C(c4ccc(OC)c(OC)c4)OCC23)ccc1OSugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.64 |
| AlogP: | -1.21 | Num_rotatable_bonds: | 11 |
| MolWt: | 696.7 | Num_heavy_atoms: | 49 |
| TPSA: | 224.68 | NumAromaticRings: | 2 |
Unique Aglycone
AD13141
Formula: C21H24O6
Smiles:
COc1cc(C2OCC3C(c4ccc(OC)c(OC)c4)OCC23)ccc1O| HBA: | 6 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.43 |
| AlogP: | 3.49 | Num_rotatable_bonds: | 5 |
| MolWt: | 372.42 | Num_heavy_atoms: | 27 |
| TPSA: | 66.38 | NumAromaticRings: | 2 |
