TPCN04336
![[object Object]](../../static/browser_molecular_png/TPCN04336.png)
| Name | 4,5-di-O-caffeoylquinic acid |
| Molecular Formula | C25H24O12 |
| Molecular Weight | 516.46 |
| CAS Registry Number | 89886-30-6 |
| SMILES | O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1OC(=O)C=Cc1ccc(O)c(O)c1 |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Loganiaceae | Antonia ovata | Barks | 0.001455% | Phytochemistry 71(4): 429-434. | 10.1016/j.phytochem.2009.11.007 |
Properties
| HBA | 12 | HBD | 7 |
| HeavyAtoms | 37 | AlogP | 1.03 |
| TPSA | 211.28 | RotatableBonds | 7 |
| FractionCSP3 | 0.24 | Rings | 3 |
| AromaticRings | 2 | AliphaticRings | 1 |