TPCN01574
![[object Object]](../../static/browser_molecular_png/TPCN01574.png)
| Name | Methyl 3,5-di-O-caffeoyl quinate |
| Molecular Formula | C26H26O12 |
| Molecular Weight | 530.48 |
| CAS Registry Number | 159934-13-1 |
| SMILES | COC(=O)C1(O)CC(OC(=O)C=Cc2ccc(O)c(O)c2)C(O)C(OC(=O)C=Cc2ccc(O)c(O)c2)C1 |
| Classify | Sesquiterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Asteraceae | Aster oharai | Aerial parts | 0.000300% | Arch Pharm Res 26(7): 521-525.(2003) | 10.1007/bf02976874 |
Properties
| HBA | 12 | HBD | 6 |
| HeavyAtoms | 38 | AlogP | 1.12 |
| TPSA | 200.28 | RotatableBonds | 7 |
| FractionCSP3 | 0.27 | Rings | 3 |
| AromaticRings | 2 | AliphaticRings | 1 |