TPCN04027
![[object Object]](../../static/browser_molecular_png/TPCN04027.png)
| Name | Eclalbasaponin I |
| Molecular Formula | C42H68O14 |
| Molecular Weight | 796.99 |
| CAS Registry Number | 158511-59-2 |
| SMILES | CC1(C)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1 |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Aquifoliaceae | Ilex asprella | Roots | 0.000133% | J Asian Nat Prod Res 15, 453-458 (2013). | 10.1080/10286020.2013.783023 |
Properties
| HBA | 14 | HBD | 9 |
| HeavyAtoms | 56 | AlogP | 1.29 |
| TPSA | 236.06 | RotatableBonds | 6 |
| FractionCSP3 | 0.93 | Rings | 7 |
| AromaticRings | 0 | AliphaticRings | 7 |