TPCN06047
![[object Object]](../../static/browser_molecular_png/TPCN06047.png)
| Name | Agrostemmoside C |
| Molecular Formula | C53H86O23 |
| Molecular Weight | 1091.25 |
| CAS Registry Number | 1227699-23-1 |
| SMILES | CC1(C)CCC2(C(=O)OC3OC(COC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1 |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Caryophyllaceae | Agrostemma gracilis | Whole plants | 0.002000% | Phytochemistry . 2010 Apr;71(5-6):663-8 | 10.1016/j.phytochem.2009.12.001 |
Properties
| HBA | 23 | HBD | 14 |
| HeavyAtoms | 76 | AlogP | -2.43 |
| TPSA | 374.13 | RotatableBonds | 11 |
| FractionCSP3 | 0.94 | Rings | 9 |
| AromaticRings | 0 | AliphaticRings | 9 |