Integrating In Silico and In Vitro Approaches to Screen the Antidiabetic Properties from Tabernaemontana divaricata (Jasmine) Flowers

Table 1

Physicochemical properties of flower extract of T. divaricate.

Physicochemical properties
Compound	Formula	MW	Heavy atom	Arom HA	Csp3	Rotatable bond	H+ bond acceptor	H+ bond donor	Molar refractivity	TPSA	Lipophilicity Conseco log Po/w
Dodecatriene	C15H24	204.35 g\mol	15	0	0.47	7	0	0	72.32	0.00	3.86
Cyclohexane propanoic acid	C10H16O3	184.23 g\mol	13	0	0.80	4	3	0	49.55	43.37	2.13
D-Glucopyranoside	C18H32O16	504.44 g\mol	34	0	1.00	8	16	11	100.54	268.68	−0.64
Vitamin D3	C27H44O	384.64 g\mol	28	0	0.78	6	1	1	125.04	20.23	5.08
Desulphosinigrin	C10H17NO65	279.31 g\mol	18	0	0.70	5	7	5	65.33	148.04	0.85
Lactose	C12H44O11	342.30 g\mol	23	0	1.00	4	11	8	68.12	189.53	1.35
n-Hexadecanoic acid	C16H32O2	256.42 g\mol	18	0	0.94	14	2	1	80.80	37.30	3.85
Cyclopropane tetradecanoic acid	C26H50O2	394.67 g\mol	28	0	0.96	22	0	2	126.27	26.30	6.48
Octadecadienoic acid	C18H32O2	280.45 g\mol	20	0	0.72	14	2	1	89.46	37.30	4.14
Phthalonitrile	C21H14N2O	310.35 g\mol	24	18	0.05	3	3	0	92.79	56.81	3.03
Octadecatrienoic acid	C25H40O6	436.58 g\mol	31	0	0.64	21	6	0	124.72	78.90	4.97
Squalene	C30H50	410.72 g\mol	30	0	0.60	15	0	0	143.48	0.00	6.37
Cholestan	C28H48O	400.58 g\mol	29	0	0.93	5	1	1	128.42	20.43	5.02
Vitamin A aldehyde	C20H28O	284.44 g\mol	21	0	0.45	5	1	0	93.71	17.07	3.96