TPCN06148
![[object Object]](../../static/browser_molecular_png/TPCN06148.png)
| Name | Vaccaroside D |
| Molecular Formula | C54H86O25 |
| Molecular Weight | 1135.26 |
| CAS Registry Number | 209862-98-6 |
| SMILES | C=C(C(=O)O)C1CCC2(C)C(CC=C3C4CC(C)(C)CCC4(C(=O)OC4OC(COC5OC(CO)C(O)C(O)C5OC5OC(CO)C(O)C(O)C5O)C(O)C(OC5OC(CO)C(O)C(O)C5O)C4O)CCC32C)C1(C)CCCO |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Caryophyllaceae | Vaccaria hispanica | Seeds | 0.000500% | Phytochemistry . 1998 Apr;47(7):1343-9 | 10.1016/s0031-9422(97)00707-3 |
Properties
| HBA | 25 | HBD | 15 |
| HeavyAtoms | 79 | AlogP | -2.80 |
| TPSA | 411.43 | RotatableBonds | 17 |
| FractionCSP3 | 0.89 | Rings | 8 |
| AromaticRings | 0 | AliphaticRings | 8 |