Glycoside
GD125696
Name:
2-{[3-(4-hydroxy-3,5-dimethoxyphenyl)-6-(4-hydroxy-3-methoxyphenyl)-hexahydrofuro[3,4-c]furan-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C27H34O13Smiles:
COc1cc(C2OCC3C(c4cc(OC)c(O)c(OC)c4)OC(OC4OC(CO)C(O)C(O)C4O)C23)ccc1OAglycone:
COc1cc(C2OCC3C(c4cc(OC)c(O)c(OC)c4)OC(O)C23)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.56 |
| AlogP: | 0.34 | Num_rotatable_bonds: | 8 |
| MolWt: | 566.56 | Num_heavy_atoms: | 40 |
| TPSA: | 185.99 | NumAromaticRings: | 2 |
Unique Aglycone
AD50842
Formula: C21H24O8
Smiles:
COc1cc(C2OCC3C(c4cc(OC)c(O)c(OC)c4)OC(O)C23)ccc1O| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.43 |
| AlogP: | 2.52 | Num_rotatable_bonds: | 5 |
| MolWt: | 404.42 | Num_heavy_atoms: | 29 |
| TPSA: | 106.84 | NumAromaticRings: | 2 |
