Glycoside
GD134674
Name:
Acanjaposide EFormula:
C48H74O20Smiles:
CC1OC(OC2C(CO)OC(OCC3OC(OC(=O)C45CCC(C)(C(=O)O)CC4C4=CCC6C7(C)CCC(O)C(C)(C=O)C7CCC6(C)C4(C)CC5)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1OAglycone:
CC1(C(=O)O)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(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: | 20 | RingCount: | 8 |
| HBD: | 11 | FractionCSP3: | 0.9 |
| AlogP: | -0.59 | Num_rotatable_bonds: | 10 |
| MolWt: | 971.1 | Num_heavy_atoms: | 68 |
| TPSA: | 329.12 | NumAromaticRings: | 0 |
Unique Aglycone
AD54475
Formula: C30H44O6
Smiles:
CC1(C(=O)O)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C=O)C5CCC43C)C2C1| HBA: | 6 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.83 |
| AlogP: | 5.48 | Num_rotatable_bonds: | 3 |
| MolWt: | 500.68 | Num_heavy_atoms: | 36 |
| TPSA: | 111.9 | NumAromaticRings: | 0 |
