Table 4.
LogP and estimating aqueous solubility directly from the molecular structure (ESOL) from phenols compounds present in maqui leaves.
| Compound | MW | Consensus LogP a | ESOL Log S b | ESOL Solubility (mol/L) c | ESOL Class |
|---|---|---|---|---|---|
| α -tocopherol | 430.71 | 8.27 | −8.60 | 2.50 × 10−9 | Poorly soluble |
| β-tocopherol | 416.68 | 7.79 | −8.29 | 5.16 × 10−9 | Poorly soluble |
| Gallic acid | 170.12 | 0.21 | −1.64 | 2.29 × 10−2 | Very soluble |
| Catechin | 290.27 | 0.83 | −2.22 | 5.98 × 10−3 | Soluble |
| Rutin | 610.52 | −1.12 | −3.30 | 5.05 × 10−4 | Soluble |
| p-cumaric acid | 164.16 | 1.26 | −2.02 | 9.65 × 10−3 | Soluble |
a,b,c LogP and ESOL parameters were computed using the freely accessible web server SwissADME: http://swissadme.ch/index.php# (accessed on 20 January 2021) undefined.