Table 3. Summary of computed in silico “drug-likeness” properties of isolated compounds.
| Compound | MW (Da) | log Po/w | HBA | HBD | NRB | TPSA (Å2) | LV |
|---|---|---|---|---|---|---|---|
| DES1 | 448.38 | 0.803 | *11 | *7 | 3 | 186.37 | 2 |
| DES2 | 432.38 | 1.076 | 10 | *6 | 3 | 166.14 | 1 |
| DES3 | 302.24 | 2.032 | 7 | 5 | 1 | 127.45 | 0 |
| DES4 | 184.15 | 0.993 | 5 | 3 | 2 | 86.99 | 0 |
| DES5 | *578.86 | *6.157 | 6 | 4 | **9 | 99.38 | 2 |
DES1-Quercitrin, DES2-Afzelin, DES3-Quercetin, DES4- methyl 3,4,5-trihydroxybenzoate ; DES5-3-O-β-D-glucopyranosyl sitosterol
* Violations of Lipinski’s “Rule of Five” (ro5); ** Violations of additional rule for NRB.