TPCN05915
![[object Object]](../../static/browser_molecular_png/TPCN05915.png)
| Name | Agrostemmoside A |
| Molecular Formula | C58H94O26 |
| Molecular Weight | 1207.36 |
| CAS Registry Number | 1227699-21-9 |
| SMILES | CC1(C)CCC2(C(=O)OC3OC(COC4OC(COC5OCC(O)C(O)C5O)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)CCC3(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 | 0.042100% | Phytochemistry . 2010 Apr;71(5-6):663-8 | 10.1016/j.phytochem.2009.12.001 |
Properties
| HBA | 26 | HBD | 15 |
| HeavyAtoms | 84 | AlogP | -2.93 |
| TPSA | 412.82 | RotatableBonds | 13 |
| FractionCSP3 | 0.95 | Rings | 10 |
| AromaticRings | 0 | AliphaticRings | 10 |