Glycoside
GD131766
Name:
1-DeoxychiisanosideFormula:
C48H74O18Smiles:
C=C(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(CC4OC(=O)CCC5(C)C(C(=C)C)CCC3(C)C45)C12Aglycone:
C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CC4OC(=O)CCC5(C)C(C(=C)C)CCC3(C)C45)C12Sugarmoiety:
CC1OC(OC2C(CO)OC(OCC3OC(O)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 8 |
| HBD: | 9 | FractionCSP3: | 0.88 |
| AlogP: | 0.73 | Num_rotatable_bonds: | 10 |
| MolWt: | 939.1 | Num_heavy_atoms: | 66 |
| TPSA: | 280.82 | NumAromaticRings: | 0 |
Unique Aglycone
AD53369
Formula: C30H44O4
Smiles:
C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CC4OC(=O)CCC5(C)C(C(=C)C)CCC3(C)C45)C12| HBA: | 4 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 6.8 | Num_rotatable_bonds: | 3 |
| MolWt: | 468.68 | Num_heavy_atoms: | 34 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
