Glycoside
GD125958
Name:
2-{[4-(3,4-dimethoxyphenyl)-1-(4-hydroxy-3-methoxyphenyl)-hexahydrofuro[3,4-c]furan-3a-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C27H34O12Smiles:
COc1cc(C2OCC3(OC4OC(CO)C(O)C(O)C4O)C(c4ccc(OC)c(OC)c4)OCC23)ccc1OAglycone:
COc1cc(C2OCC3(O)C(c4ccc(OC)c(OC)c4)OCC23)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | 0.43 | Num_rotatable_bonds: | 8 |
| MolWt: | 550.56 | Num_heavy_atoms: | 39 |
| TPSA: | 165.76 | NumAromaticRings: | 2 |
Unique Aglycone
AD50947
Formula: C21H24O7
Smiles:
COc1cc(C2OCC3(O)C(c4ccc(OC)c(OC)c4)OCC23)ccc1O| HBA: | 7 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.43 |
| AlogP: | 2.61 | Num_rotatable_bonds: | 5 |
| MolWt: | 388.42 | Num_heavy_atoms: | 28 |
| TPSA: | 86.61 | NumAromaticRings: | 2 |
