TPCN06116
![[object Object]](../../static/browser_molecular_png/TPCN06116.png)
| Name | Saponarioside K |
| Molecular Formula | C48H76O21 |
| Molecular Weight | 989.12 |
| CAS Registry Number | 252736-97-3 |
| SMILES | C=C(C(=O)O)C1CCC2(C)C(CC=C3C4CC(C)(C)CCC4(C(=O)OC4OC(COC5OC(CO)C(O)C(O)C5O)C(O)C(OC5OC(CO)C(O)C(O)C5O)C4O)C(O)CC32C)C1(C)CCCO |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Caryophyllaceae | Saponaria officinalis | Whole plants | 0.000750% | J Nat Prod . 1999 Dec;62(12):1655-9 | 10.1021/np990311r |
Properties
| HBA | 21 | HBD | 13 |
| HeavyAtoms | 69 | AlogP | -1.66 |
| TPSA | 352.51 | RotatableBonds | 14 |
| FractionCSP3 | 0.88 | Rings | 7 |
| AromaticRings | 0 | AliphaticRings | 7 |