TPCN04681
![[object Object]](../../static/browser_molecular_png/TPCN04681.png)
| Name | Kakkasaponin III |
| Molecular Formula | C47H74O16 |
| Molecular Weight | 895.09 |
| CAS Registry Number | 1616591-06-0 |
| SMILES | CC1OC(OC2C(OC3C(OC4CCC5(C)C(CCC6(C)C5CC=C5C7CC(C)(C)CC(=O)C7(C)CCC56C)C4(C)C)OC(C(=O)O)C(O)C3O)OCC(O)C2O)C(O)C(O)C1O |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Fabaceae | Pueraria thomsonii | Flowers | 0.000114% | J Asian Nat Prod Res 15(10): 1065-1072. | 10.1080/10286020.2013.802690 |
Properties
| HBA | 16 | HBD | 8 |
| HeavyAtoms | 63 | AlogP | 2.58 |
| TPSA | 251.36 | RotatableBonds | 7 |
| FractionCSP3 | 0.91 | Rings | 8 |
| AromaticRings | 0 | AliphaticRings | 8 |