Glycoside
GD001348
Name:
DIGITOXIGENIN MONODIGITOXOSIDEFormula:
C29H44O7Smiles:
C[C@@H]1O[C@H](O[C@@H]2CC[C@]3(C)[C@H](CC[C@@H]4[C@H]3CC[C@]3(C)[C@H](C5=CC(=O)OC5)CC[C@]43O)C2)C[C@H](O)[C@H]1OAglycone:
CC12CCC(O)CC1CCC1C2CCC2(C)C(C3=CC(=O)OC3)CCC12OSugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.9 |
| AlogP: | 3.49 | Num_rotatable_bonds: | 3 |
| MolWt: | 504.66 | Num_heavy_atoms: | 36 |
| TPSA: | 105.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD01378
Formula: C23H34O4
Smiles:
CC12CCC(O)CC1CCC1C2CCC2(C)C(C3=CC(=O)OC3)CCC12O| HBA: | 4 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.87 |
| AlogP: | 3.6 | Num_rotatable_bonds: | 1 |
| MolWt: | 374.52 | Num_heavy_atoms: | 27 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
