Glycoside
GD134320
Name:
Cathargyroside BFormula:
C26H40O9Smiles:
CC(=CCO)CCC1C(C)=CC(=O)C2C(C)(C(=O)OC3OC(CO)C(O)C(O)C3O)CCCC12CAglycone:
CC(=CCO)CCC1C(C)=CC(=O)C2C(C)(C(=O)O)CCCC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.77 |
| AlogP: | 1.01 | Num_rotatable_bonds: | 7 |
| MolWt: | 496.6 | Num_heavy_atoms: | 35 |
| TPSA: | 153.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD54346
Formula: C20H30O4
Smiles:
CC(=CCO)CCC1C(C)=CC(=O)C2C(C)(C(=O)O)CCCC12C| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.7 |
| AlogP: | 3.75 | Num_rotatable_bonds: | 5 |
| MolWt: | 334.46 | Num_heavy_atoms: | 24 |
| TPSA: | 74.6 | NumAromaticRings: | 0 |
