TPCN05950
![[object Object]](../../static/browser_molecular_png/TPCN05950.png)
| Name | Agrostemmoside B |
| Molecular Formula | C64H104O30 |
| Molecular Weight | 1353.51 |
| CAS Registry Number | 1227699-22-0 |
| SMILES | CC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(C(=O)OC6OC(COC7OC(COC8OCC(O)C(O)C8O)C(O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C(O)C(O)C6O)CCC45C)C3(C)C)OCC(O)C2O)C(O)C(O)C1O |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Caryophyllaceae | Agrostemma gracilis | Whole plants | 0.008300% | Phytochemistry . 2010 Apr;71(5-6):663-8 | 10.1016/j.phytochem.2009.12.001 |
Properties
| HBA | 30 | HBD | 17 |
| HeavyAtoms | 94 | AlogP | -4.08 |
| TPSA | 471.74 | RotatableBonds | 15 |
| FractionCSP3 | 0.95 | Rings | 11 |
| AromaticRings | 0 | AliphaticRings | 11 |