TPCN03789
![[object Object]](../../static/browser_molecular_png/TPCN03789.png)
| Name | Ilexsaponin A1;Ilexsaponin?A1 |
| Molecular Formula | C36H56O11 |
| Molecular Weight | 664.83 |
| CAS Registry Number | 108524-93-2 |
| SMILES | CC1CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C(=O)O)C5CCC43C)C2C1(C)O |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Biebersteiniaceae | Aesculus turbinata | Seeds | 0.000667% | J Asian Nat Prod Res, 2008, 10, 259-265. | 10.1080/10286020701604904 |
| Biebersteiniaceae | Aesculus turbinata | Seeds | 0.000533% | J Asian Nat Prod Res, 2008, 10, 259-265. | 10.1080/10286020701604904 |
Properties
| HBA | 11 | HBD | 7 |
| HeavyAtoms | 47 | AlogP | 2.53 |
| TPSA | 194.21 | RotatableBonds | 4 |
| FractionCSP3 | 0.89 | Rings | 6 |
| AromaticRings | 0 | AliphaticRings | 6 |