HuagongsheHuagongshe Chemistry Print Report · For research reference only
Colladonin
Identifiers & Physical Properties
| CAS No. | 100785-98-6 |
|---|---|
| Molecular formula | C24H30O4 |
| Average molar mass | 382.5 g/mol |
| Monoisotopic mass | 382.21440943 g/mol |
| SMILES | C=C1CC[C@@H]2C(C)(C)C(O)CCC2(C)C1COc1ccc2ccc(=O)oc2c1 |
| InChIKey | FCWYNTDTQPCVPG-SMVUYSJCSA-N |
| PubChem CID | 375430 |
| DTXSID | DTXSID50905738 |
Chemical & Physical Properties
| XLogP | 4.9 |
|---|---|
| Topological polar surface area | 55.8 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 3 |
| Heavy atoms | 28 |
| Formal charge | 0 |
| Complexity | 666 |