TPCN04759
![[object Object]](../../static/browser_molecular_png/TPCN04759.png)
| Name | Vaccaroside C |
| Molecular Formula | C60H96O30 |
| Molecular Weight | 1297.40 |
| CAS Registry Number | 209862-97-5 |
| 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)OC6OC(CO)C(O)C(O)C6O)C5CCC43C)C2C1 |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Caryophyllaceae | Vaccaria hispanica | Seeds | 0.000300% | Phytochemistry . 1998 Apr;47(7):1343-9 | 10.1016/s0031-9422(97)00707-3 |
| Caryophyllaceae | Dianthus chinensis | Whole plants | 0.000045% | J Nat Prod 72(4): 640-644. | 10.1021/np800589a |
Properties
| HBA | 30 | HBD | 18 |
| HeavyAtoms | 90 | AlogP | -5.71 |
| TPSA | 490.58 | RotatableBonds | 15 |
| FractionCSP3 | 0.93 | Rings | 10 |
| AromaticRings | 0 | AliphaticRings | 10 |