TPCN04403
![[object Object]](../../static/browser_molecular_png/TPCN04403.png)
| Name | Vaccaroside I |
| Molecular Formula | C71H112O37 |
| Molecular Weight | 1557.64 |
| CAS Registry Number | 1052721-36-4 |
| SMILES | CC1OC(OC2C(C)OC(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(OC7OC(C(=O)O)C(O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C(C)(C=O)C6CCC5(C)C3(C)CC4O)C(OC3OC(C)C(OC4OCC(O)C(OC5OC(CO)C(O)C(O)C5O)C4O)C(O)C3O)C2O)C(O)C(O)C1O |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Caryophyllaceae | Vaccaria hispanica | Seeds | 0.000800% | J Asian Nat Prod Res 10(1-2): 177-184. | 10.1080/10286020701394381 |
Properties
| HBA | 37 | HBD | 20 |
| HeavyAtoms | 108 | AlogP | -6.60 |
| TPSA | 585.03 | RotatableBonds | 18 |
| FractionCSP3 | 0.93 | Rings | 12 |
| AromaticRings | 0 | AliphaticRings | 12 |