Glycoside
GD009839
Name:
DEGLUCOCHEIROTOXOLFormula:
C29H44O10Smiles:
C[C@@H]1O[C@H](O[C@@H]2CC[C@]3(CO)[C@@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@@]5(O)[C@H]4CC[C@@]3(O)C2)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC12CCC3C(CCC4(O)CC(O)CCC34CO)C1(O)CCC2C1=CC(=O)OC1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.9 |
| AlogP: | 0.54 | Num_rotatable_bonds: | 4 |
| MolWt: | 552.66 | Num_heavy_atoms: | 39 |
| TPSA: | 166.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD07682
Formula: C23H34O6
Smiles:
CC12CCC3C(CCC4(O)CC(O)CCC34CO)C1(O)CCC2C1=CC(=O)OC1| HBA: | 6 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.87 |
| AlogP: | 1.69 | Num_rotatable_bonds: | 2 |
| MolWt: | 406.52 | Num_heavy_atoms: | 29 |
| TPSA: | 107.22 | NumAromaticRings: | 0 |
