TPCN06250
![[object Object]](../../static/browser_molecular_png/TPCN06250.png)
| Name | Dianthosaponin I |
| Molecular Formula | C42H66O16 |
| Molecular Weight | 826.97 |
| CAS Registry Number | 1403227-26-8 |
| 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(O)C4O)C(O)CC32C)C1(C)CCCO |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Caryophyllaceae | Dianthus japonicus | Aerial parts | 0.000114% | J Nat Med . 2016 Oct;70(4):816-24 | 10.1007/s11418-016-1019-8 |
Properties
| HBA | 16 | HBD | 10 |
| HeavyAtoms | 58 | AlogP | 0.52 |
| TPSA | 273.36 | RotatableBonds | 11 |
| FractionCSP3 | 0.86 | Rings | 6 |
| AromaticRings | 0 | AliphaticRings | 6 |