TPCN05691
![[object Object]](../../static/browser_molecular_png/TPCN05691.png)
| Name | Sandrosaponin IX |
| Molecular Formula | C54H86O24 |
| Molecular Weight | 1119.26 |
| CAS Registry Number | 303953-07-3 |
| SMILES | CC1(C)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1 |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Apiaceae | Bupleurum rigidum | Roots | 0.009583% | J Nat Prod. 2000 Nov;63(11):1479-82. | 10.1021/np000004h. |
Properties
| HBA | 24 | HBD | 14 |
| HeavyAtoms | 78 | AlogP | -1.94 |
| TPSA | 391.20 | RotatableBonds | 12 |
| FractionCSP3 | 0.93 | Rings | 9 |
| AromaticRings | 0 | AliphaticRings | 9 |