Table 5.
Molecular and physicochemical descriptors of curcumin, trans-resveratrol, quercetin and (1 s,4 s)-eucalyptol
| Curcumin | Trans-resveratrol | Quercetin | (1 s,4 s)-Eucalyptol | |
|---|---|---|---|---|
| Formula | C21H20O6 | C14H12O3 | C15H10O7 | C10H18O |
| Molecular weight (MW) | 368.38 g/mol | 228.24 g/mol | 302.24 g/mol | 154.25 g/mol |
| Number of heavy atoms | 27 | 17 | 22 | 11 |
| Number of aromatic heavy atoms | 12 | 12 | 16 | 0 |
| Carbon bond saturation (Fraction Csp3) | 0.14 | 0.00 | 0.00 | 1.00 |
| Number of rotatable bonds | 8 | 2 | 1 | 0 |
| Number of H-bond acceptors | 6 | 3 | 7 | 1 |
| Number of H-bond donors | 2 | 3 | 5 | 0 |
| Molar Refractivity (MR) | 102.80 | 67.88 | 78.04 | 47.12 |
| Topological polar surface area (TPSA) | 93.06 Å2 | 60.69 Å2 | 131.36 Å2 | 9.23 Å2 |