Glycoside
GD004568
Name:
DIHYDRODIGITOXINFormula:
C41H66O13Smiles:
C[C@@H]1O[C@H](O[C@H]2[C@H](C)O[C@@H](O[C@H]3[C@H](C)O[C@@H](O[C@@H]4CC[C@@]5(C)[C@@H](CC[C@H]6[C@H]5CC[C@]5(C)[C@H](C7COC(=O)C7)CC[C@@]65O)C4)C[C@H]3O)C[C@H]2O)C[C@H](O)[C@H]1OAglycone:
CC12CCC(O)CC1CCC1C2CCC2(C)C(C3COC(=O)C3)CCC12OSugarmoiety:
CC1OC(OC2C(O)CC(OC3C(O)CC(O)OC3C)OC2C)CC(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 8 |
| HBD: | 5 | FractionCSP3: | 0.98 |
| AlogP: | 3.33 | Num_rotatable_bonds: | 7 |
| MolWt: | 766.97 | Num_heavy_atoms: | 54 |
| TPSA: | 182.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD03970
Formula: C23H36O4
Smiles:
CC12CCC(O)CC1CCC1C2CCC2(C)C(C3COC(=O)C3)CCC12O| HBA: | 4 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.96 |
| AlogP: | 3.68 | Num_rotatable_bonds: | 1 |
| MolWt: | 376.54 | Num_heavy_atoms: | 27 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
