TPCN04603
![[object Object]](../../static/browser_molecular_png/TPCN04603.png)
| Name | Vaccaroside E |
| Molecular Formula | C66H102O33 |
| Molecular Weight | 1423.51 |
| CAS Registry Number | 211508-49-5 |
| SMILES | CC(=O)OC1C(C)OC(OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C=O)C5CCC4(C)C2(C)CC3O)C(OC2OC(C)C(OC3OCC(O)C(O)C3O)C(O)C2O)C1OC1OC(CO)C(O)C1O |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Caryophyllaceae | Vaccaria hispanica | Seeds | 0.004250% | Phytochemistry . 1998 Jun;48(3):529-36 | 10.1016/s0031-9422(97)01128-x |
| Caryophyllaceae | Vaccaria hispanica | Seeds | 0.000200% | J Asian Nat Prod Res 10(1-2): 177-184. | 10.1080/10286020701394381 |
Properties
| HBA | 33 | HBD | 16 |
| HeavyAtoms | 99 | AlogP | -4.24 |
| TPSA | 511.95 | RotatableBonds | 17 |
| FractionCSP3 | 0.91 | Rings | 11 |
| AromaticRings | 0 | AliphaticRings | 11 |