Glycoside
GD032267
Name:
AndrographatosideFormula:
C26H42O9Smiles:
C=C1CC[C@@H]2[C@@](C)(C(=O)O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)CCC[C@@]2(C)[C@H]1CCC(=CCO)COAglycone:
C=C1CCC2C(C)(C(=O)O)CCCC2(C)C1CCC(=CCO)COSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.81 |
| AlogP: | 0.8 | Num_rotatable_bonds: | 8 |
| MolWt: | 498.61 | Num_heavy_atoms: | 35 |
| TPSA: | 156.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD03344
Formula: C20H32O4
Smiles:
C=C1CCC2C(C)(C(=O)O)CCCC2(C)C1CCC(=CCO)CO| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.75 |
| AlogP: | 3.54 | Num_rotatable_bonds: | 6 |
| MolWt: | 336.47 | Num_heavy_atoms: | 24 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
