TPCN06149
![[object Object]](../../static/browser_molecular_png/TPCN06149.png)
| Name | Saponarioside J |
| Molecular Formula | C53H82O24 |
| Molecular Weight | 1103.22 |
| CAS Registry Number | 252736-88-2 |
| SMILES | CC1(C)CCC2(C(=O)OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)CCC3(C)C(=C2C1)C=CC1C2(C)CCC(OC4OCC(O)C(O)C4O)C(C)(C(=O)O)C2CCC13C |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Caryophyllaceae | Saponaria officinalis | Whole plants | 0.000500% | J Nat Prod . 1999 Dec;62(12):1655-9 | 10.1021/np990311r |
Properties
| HBA | 24 | HBD | 14 |
| HeavyAtoms | 77 | AlogP | -2.41 |
| TPSA | 391.20 | RotatableBonds | 12 |
| FractionCSP3 | 0.89 | Rings | 9 |
| AromaticRings | 0 | AliphaticRings | 9 |