Glycoside
GD010728
Name:
LIQUIRTIGENIN GLUCURONIDEFormula:
C21H20O10Smiles:
O=C1CC(c2ccc(O[C@@H]3O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]3O)cc2)Oc2cc(O)ccc21Aglycone:
O=C1CC(c2ccc(O)cc2)Oc2cc(O)ccc21Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | 0.37 | Num_rotatable_bonds: | 4 |
| MolWt: | 432.38 | Num_heavy_atoms: | 31 |
| TPSA: | 162.98 | NumAromaticRings: | 2 |
Unique Aglycone
AD04055
Formula: C15H12O4
Smiles:
O=C1CC(c2ccc(O)cc2)Oc2cc(O)ccc21| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.13 |
| AlogP: | 2.8 | Num_rotatable_bonds: | 1 |
| MolWt: | 256.26 | Num_heavy_atoms: | 19 |
| TPSA: | 66.76 | NumAromaticRings: | 2 |
