TPCN04648
![[object Object]](../../static/browser_molecular_png/TPCN04648.png)
| Name | Vaccaroid A;Vaccaroside A |
| Molecular Formula | C54H86O25 |
| Molecular Weight | 1135.26 |
| CAS Registry Number | 191543-13-2 |
| SMILES | CC1(C)CCC2(C(=O)OC3OC(COC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C(=O)O)C5CCC43C)C2C1 |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Caryophyllaceae | Vaccaria hispanica | Seeds | 0.001500% | Phytochemistry . 1998 Apr;47(7):1343-9 | 10.1016/s0031-9422(97)00707-3 |
| Caryophyllaceae | Dianthus chinensis | Whole plants | 0.000150% | J Nat Prod 72(4): 640-644. | 10.1021/np800589a |
Properties
| HBA | 25 | HBD | 15 |
| HeavyAtoms | 79 | AlogP | -2.97 |
| TPSA | 411.43 | RotatableBonds | 13 |
| FractionCSP3 | 0.93 | Rings | 9 |
| AromaticRings | 0 | AliphaticRings | 9 |