TPCN03585
![[object Object]](../../static/browser_molecular_png/TPCN03585.png)
| Name | Isoescins VIa |
| Molecular Formula | C55H88O24 |
| Molecular Weight | 1133.29 |
| CAS Registry Number | 1070723-22-6 |
| SMILES | CCC(C)C(=O)OC1C(O)C2(COC(C)=O)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(OC7OC(CO)C(O)C(O)C7O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(CO)C5CCC43C)C2CC1(C)C |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Biebersteiniaceae | Aesculus turbinata | Seeds | 0.002167% | J Asian Nat Prod Res, 2008, 10, 259-265. | 10.1080/10286020701604904 |
Properties
| HBA | 24 | HBD | 13 |
| HeavyAtoms | 79 | AlogP | -1.24 |
| TPSA | 388.04 | RotatableBonds | 15 |
| FractionCSP3 | 0.91 | Rings | 8 |
| AromaticRings | 0 | AliphaticRings | 8 |