Glycoside
GD002010
Name:
ISOLIQUIRITINFormula:
C21H22O9Smiles:
O=C(C=Cc1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1)c1ccc(O)cc1OAglycone:
O=C(C=Cc1ccc(O)cc1)c1ccc(O)cc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.29 |
| AlogP: | 0.17 | Num_rotatable_bonds: | 6 |
| MolWt: | 418.4 | Num_heavy_atoms: | 30 |
| TPSA: | 156.91 | 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 |
