Glycoside
GD150786
Name:
Akemisaponin KFormula:
C47H72O19Smiles:
C=C1CCC2(C(=O)OC3OC(COC4OC(CO)C(OC5OC(C)C(O)C(O)C5O)C(O)C4O)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C=O)C5CCC43C)C2C1Aglycone:
C=C1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C=O)C5CCC43C)C2C1Sugarmoiety:
CC1OC(OC2C(CO)OC(OCC3OC(O)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 8 |
| HBD: | 11 | FractionCSP3: | 0.87 |
| AlogP: | -1.15 | Num_rotatable_bonds: | 9 |
| MolWt: | 941.07 | Num_heavy_atoms: | 66 |
| TPSA: | 312.05 | NumAromaticRings: | 0 |
Unique Aglycone
AD53592
Formula: C29H42O5
Smiles:
C=C1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C=O)C5CCC43C)C2C1| HBA: | 5 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.79 |
| AlogP: | 4.91 | Num_rotatable_bonds: | 2 |
| MolWt: | 470.65 | Num_heavy_atoms: | 34 |
| TPSA: | 94.83 | NumAromaticRings: | 0 |
