TABLE 1.

Characteristics of 19 active constituents derived from fenugreek.

MOL‐ID	PubChem ID	Molecular name	Mw	OB (%)	DL	AlogP	Type
MOL1	64,971	Mairin	456.78	55.38	0.78	6.52	Terpenoid
MOL2	222,284	β‐sitosterol	414.79	36.91	0.75	8.08	Terpenoid
MOL3	5,281,779	Irolone	298.26	46.87	0.36	2.1	Flavonoid
MOL4	5,280,378	Formononetin	268.28	69.67	0.21	2.58	Flavonoid
MOL5	5,280,448	Calycosin	284.28	47.75	0.24	2.32	Flavonoid
MOL6	5,280,863	Kaempferol	286.25	41.88	0.24	1.77	Flavonoid
MOL7	99,474	Diosgenin	414.69	80.88	0.81	4.63	Terpenoid
MOL8	162,995,045	Gallic acid‐3‐O‐(6’‐O‐galloyl)‐glucoside	484.4	30.25	0.67	−0.03	Glycoside
MOL9	5,280,445	Luteolin	286.25	36.16	0.25	2.07	Flavonoid
MOL10	5,281,471	Hiyodori lactone A	420.5	58.33	0.52	1.81	Flavonoid
MOL11	99,516	Tigogenone	414.69	37.35	0.81	4.56	Terpenoid
MOL12	162,350	Isovitexin	432.41	31.29	0.72	−0.06	Flavonoid
MOL13	12,304,433	Neotigogenin	416.71	80.98	0.81	4.88	Terpenoid
MOL14	5,280,343	Quercetin	302.25	46.43	0.28	1.5	Flavonoid
MOL15	442,664	Vicenin‐2	594.57	3.42	0.78	−2.45	Flavonoid
MOL16	442,664	Vitexin‐7‐glucoside_qt	432.41	16.49	0.71	−0.06	Flavonoid
MOL17	114,776	Isoorientin	448.41	23.30	0.76	−0.32	Flavonoid
MOL18	5,280,441	Vitexin	432.41	3.05	0.71	−0.06	Flavonoid
MOL19	2,773,624	4‐Hydroxyisoleucine	147.17	/	/	−2.50	Amino Acid

Abbreviations: AlogP, atomic partition coefficient; DL, drug‐likeness; OB, oral bioavailability; Mw, molecular weight.