HuagongsheHuagongshe Chemistry Print Report · For research reference only
Agaveside D
agaveside D
Identifiers & Physical Properties
| CAS No. | 140400-46-0 |
|---|---|
| Molecular formula | C62H102O30 |
| Average molar mass | 1,327.5 g/mol |
| Monoisotopic mass | 1,326.64559183 g/mol |
| SMILES | CC1CCC2(OC1)OC1CC3C4CCC5CC(OC6OC(CO)C(O)C(OC7OC(CO)C(O)C(OC8OCC(O)C(O)C8O)C7OC7OC(C)C(O)C(O)C7O)C6OC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2C |
| InChIKey | NAQDYYJRPQGJHX-UHFFFAOYSA-N |
| PubChem CID | 3083320 |
Chemical & Physical Properties
| XLogP | -2.6 |
|---|---|
| Topological polar surface area | 453 |
| Hydrogen bond donors | 16 |
| Hydrogen bond acceptors | 30 |
| Rotatable bonds | 15 |
| Heavy atoms | 92 |
| Formal charge | 0 |
| Complexity | 2,440 |