TPCN05314
![[object Object]](../../static/browser_molecular_png/TPCN05314.png)
| Name | Bioactive saponin |
| Molecular Formula | C65H104O34 |
| Molecular Weight | 1429.51 |
| CAS Registry Number | 229496-43-9 |
| SMILES | CC1OC(OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CC(O)C(OC6OC(CO)C(O)C(O)C6O)C(C)(C(=O)O)C5CCC4(C)C2(CO)CC3)C(OC2OC(C)C(OC3OCC(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)C(O)C2O)C(OC2OC(CO)C(O)C(O)C2O)C1O |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Polygalaceae | Polygala amarella | Seeds | 0.005882% | J Nat Prod. 1999. 62, 923-926. | 10.1021/np980577i. |
Properties
| HBA | 34 | HBD | 20 |
| HeavyAtoms | 99 | AlogP | -6.68 |
| TPSA | 549.50 | RotatableBonds | 17 |
| FractionCSP3 | 0.94 | Rings | 11 |
| AromaticRings | 0 | AliphaticRings | 11 |