TPCN05948
![[object Object]](../../static/browser_molecular_png/TPCN05948.png)
| Name | Saponarioside I |
| Molecular Formula | C59H94O30 |
| Molecular Weight | 1283.37 |
| CAS Registry Number | 252736-72-4 |
| SMILES | CC1(C)CCC2(C(=O)OC3OC(COC4OC(COC5OC(CO)C(O)C(O)C5O)C(O)C(O)C4O)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(O)C6O)C(C)(C(=O)O)C5CCC43C)C2C1 |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Caryophyllaceae | Saponaria officinalis | Whole plants | 0.008750% | J Nat Prod . 1999 Dec;62(12):1655-9 | 10.1021/np990311r |
Properties
| HBA | 30 | HBD | 18 |
| HeavyAtoms | 89 | AlogP | -5.54 |
| TPSA | 490.58 | RotatableBonds | 15 |
| FractionCSP3 | 0.93 | Rings | 10 |
| AromaticRings | 0 | AliphaticRings | 10 |