TPCN03632
![[object Object]](../../static/browser_molecular_png/TPCN03632.png)
| Name | Ilexoside K;Ilexsaponin B3 |
| Molecular Formula | C47H76O18 |
| Molecular Weight | 929.11 |
| CAS Registry Number | 109008-26-6 |
| SMILES | CC1CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1(C)O |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Biebersteiniaceae | Aesculus turbinata | Seeds | 0.001567% | J Asian Nat Prod Res, 2008, 10, 259-265. | 10.1080/10286020701604904 |
| Aquifoliaceae | Ilex rotunda | Barks | 0.000217% | Fitoterapia. 2015. 101, 19-26. | 10.1016/j.fitote.2014.11.007 |
Properties
| HBA | 18 | HBD | 11 |
| HeavyAtoms | 65 | AlogP | -0.25 |
| TPSA | 294.98 | RotatableBonds | 8 |
| FractionCSP3 | 0.94 | Rings | 8 |
| AromaticRings | 0 | AliphaticRings | 8 |