HuagongsheHuagongshe Chemistry Print Report · For research reference only
sceptrumgenin 3-O-lycotetraoside
sceptrumgenin 3-O-lycotetraoside
Identifiers & Physical Properties
| CAS No. | 139367-82-1 |
|---|---|
| Molecular formula | C50H78O22 |
| Average molar mass | 1,031.1 g/mol |
| Monoisotopic mass | 1,030.49847411 g/mol |
| SMILES | C=C1CCC2(OC1)OC1CC3C4CC=C5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(OC8OCC(O)C(O)C8O)C7OC7OC(CO)C(O)C(O)C7O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2C |
| InChIKey | SHAAFTGWRAJSSK-UHFFFAOYSA-N |
| PubChem CID | 3083301 |
| DTXSID | DTXSID80930457 |
Chemical & Physical Properties
| XLogP | -1.8 |
|---|---|
| Topological polar surface area | 335 |
| Hydrogen bond donors | 12 |
| Hydrogen bond acceptors | 22 |
| Rotatable bonds | 11 |
| Heavy atoms | 72 |
| Formal charge | 0 |
| Complexity | 1,950 |