TPCN01012
![[object Object]](../../static/browser_molecular_png/TPCN01012.png)
| Name | 3,4-di-O-caffeoylquinic acid |
| Molecular Formula | C25H24O12 |
| Molecular Weight | 516.46 |
| CAS Registry Number | 89886-31-7 |
| 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 | Sesquiterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Asteraceae | Aster oharai | Aerial parts | 0.004000% | Arch Pharm Res 26(7): 521-525.(2003) | 10.1007/bf02976874 |
Properties
| HBA | 12 | HBD | 7 |
| HeavyAtoms | 37 | AlogP | 1.03 |
| TPSA | 211.28 | RotatableBonds | 7 |
| FractionCSP3 | 0.24 | Rings | 3 |
| AromaticRings | 2 | AliphaticRings | 1 |