Glycoside
GD123023
Name:
Isoliquiritigenin 4'-O-Glucoside 4-O-Apiofuranosyl-(1'''->2''')-GlucosideFormula:
C32H40O18Smiles:
O=C(C=Cc1ccc(OC2OC(CO)C(O)C(O)C2OC2OCC(O)(CO)C2O)cc1)c1ccc(OC2OC(CO)C(O)C(O)C2O)cc1OAglycone:
O=C(C=Cc1ccc(O)cc1)c1ccc(O)cc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(OC2OCC(O)(CO)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 5 |
| HBD: | 11 | FractionCSP3: | 0.53 |
| AlogP: | -3.89 | Num_rotatable_bonds: | 12 |
| MolWt: | 712.65 | Num_heavy_atoms: | 50 |
| TPSA: | 294.98 | NumAromaticRings: | 2 |
Unique Aglycone
AD01876
Formula: C15H12O4
Smiles:
O=C(C=Cc1ccc(O)cc1)c1ccc(O)cc1O| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 2.7 | Num_rotatable_bonds: | 3 |
| MolWt: | 256.26 | Num_heavy_atoms: | 19 |
| TPSA: | 77.76 | NumAromaticRings: | 2 |
