HuagongsheHuagongshe Chemistry Print Report · For research reference only
22-Deoxoisocucurbitacin D
Identifiers & Physical Properties
| CAS No. | 15371-77-4 |
|---|---|
| Molecular formula | C30H46O6 |
| Average molar mass | 502.7 g/mol |
| Monoisotopic mass | 502.32943918 g/mol |
| SMILES | CC(C)(O)/C=C/CC(C)(O)C1C(O)CC2(C)C3CC=C4C(CC(=O)C(O)C4(C)C)C3(C)C(=O)CC12C |
| InChIKey | LTAMPOZNZZLEID-FMIVXFBMSA-N |
| PubChem CID | 5474792 |
| ChEBI | CHEBI:168010 |
Chemical & Physical Properties
| XLogP | 2.7 |
|---|---|
| Topological polar surface area | 115 |
| Hydrogen bond donors | 4 |
| Hydrogen bond acceptors | 6 |
| Rotatable bonds | 4 |
| Heavy atoms | 36 |
| Formal charge | 0 |
| Complexity | 1,020 |