Glycoside
GD146320
Name:
24-HydroxychiisanosideFormula:
C48H74O20Smiles:
C=C(C)C1CCC2(C(=O)OC3OC(COC4OC(CO)C(OC5CC(CO)OC(O)C5O)C(O)C4O)C(O)C(O)C3O)CCC3(C)C(CC4OC(=O)CC(O)C5(C)C(C(=C)CO)CCC3(C)C45)C12Aglycone:
C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CC4OC(=O)CC(O)C5(C)C(C(=C)CO)CCC3(C)C45)C12Sugarmoiety:
OCC1CC(OC2C(CO)OC(OCC3OC(O)C(O)C(O)C3O)C(O)C2O)C(O)C(O)O1Other Identifiers
Properties
| HBA: | 20 | RingCount: | 8 |
| HBD: | 11 | FractionCSP3: | 0.88 |
| AlogP: | -1.32 | Num_rotatable_bonds: | 12 |
| MolWt: | 971.1 | Num_heavy_atoms: | 68 |
| TPSA: | 321.28 | NumAromaticRings: | 0 |
Unique Aglycone
AD58630
Formula: C30H44O6
Smiles:
C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CC4OC(=O)CC(O)C5(C)C(C(=C)CO)CCC3(C)C45)C12| HBA: | 6 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.8 |
| AlogP: | 4.74 | Num_rotatable_bonds: | 4 |
| MolWt: | 500.68 | Num_heavy_atoms: | 36 |
| TPSA: | 104.06 | NumAromaticRings: | 0 |
