Glycoside
GD007843
Name:
DIHYDRODIGITOXIGENINFormula:
C20H30O8Smiles:
CC12CCC(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)CC1CCC2C1=CC(=O)OC1Aglycone:
CC12CCC(O)CC1CCC2C1=CC(=O)OC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.85 |
| AlogP: | -0.13 | Num_rotatable_bonds: | 4 |
| MolWt: | 398.45 | Num_heavy_atoms: | 28 |
| TPSA: | 125.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD06345
Formula: C14H20O3
Smiles:
CC12CCC(O)CC1CCC2C1=CC(=O)OC1| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.79 |
| AlogP: | 2.05 | Num_rotatable_bonds: | 1 |
| MolWt: | 236.31 | Num_heavy_atoms: | 17 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
