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. 2016 Feb 28;2016:3187647. doi: 10.1155/2016/3187647

Table 2.

Ligand properties of Gymnema sylvestre compounds.

Ligand properties Conduritol A Conduritol B tetraacetate Conduritol C cis-epoxide Conduritol D Conduritol E tetranitro GS4 Gymnemic acid I Gymnemic acid II Gymnemoside A Gymnemoside B
Docking energy (Kcal/mol) −5.2 −5.7 −5.3 −5.6 −8.0 −8.7 −10.8 −9.4 −10.9 −10.4
Molecular weight (g/mol) 146.1412 314.28792 162.1406 146.1412 326.1314 714.78 806.98 682.838 806.9757 806.9757
Number of H donor 4 2 4 4 2 14 7 9 7 7
Number of H acceptor 4 8 5 2 12 21 14 12 14 14
Log S −1.958 −0.295 −0.237 −0.326 −4.065 −1.133 −1.133 −1.133 −5.38 −5.38
cLog P −1.63 0.31 −0.205 −1.631 −2.829 −5.169 −5.169 −5.169 −2.976 −2.976
TPSA 80.92 105.2 93.45 80.92 220.2 401 401 401 229.7 229.7
Drug likeness −0.05 −0.02 −0.218 −0.495 −2.168 −7.992 −7.992 −7.992 −6.524 −6.619
Oral bioavailability 30%–70% 30%–70% 30%–70% 30%–70% More than 70% More than 70% 30%–70% More than 70% More than 70% More than 70%