TPCN04618
![[object Object]](../../static/browser_molecular_png/TPCN04618.png)
| Name | Vaccaroside B |
| Molecular Formula | C60H94O29 |
| Molecular Weight | 1279.38 |
| CAS Registry Number | 202347-28-2 |
| SMILES | CC1(C)CCC2(C(=O)OC3OC(COC4OC(COC(=O)CC(C)(O)CC(=O)O)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 | 0.000900% | Phytochemistry . 1998 Apr;47(7):1343-9 | 10.1016/s0031-9422(97)00707-3 |
| Caryophyllaceae | Vaccaria hispanica | Seeds | 0.000180% | J Asian Nat Prod Res 10(1-2): 177-184. | 10.1080/10286020701394381 |
Properties
| HBA | 29 | HBD | 16 |
| HeavyAtoms | 89 | AlogP | -2.80 |
| TPSA | 475.03 | RotatableBonds | 18 |
| FractionCSP3 | 0.90 | Rings | 9 |
| AromaticRings | 0 | AliphaticRings | 9 |