Table 2.

The total available compounds of Lycium chinense Mill

Index	Mol ID	Molecule name	MW	AlogP	Hdon	Hacc	OB (%)	Caco-2	BBB	DL	FASA −	HL
9	MOL002224	Aurantiamide acetate	444.57	4.526	2	6	58.38079	0.40909	− 0.22162	0.5883	84.5	7.035985
5	MOL002218	Scopolin	354.34	− 0.288	4	9	56.44689	− 1.05198	− 1.75118	0.38714	138.82	3.006583
1	MOL001552	OIN	289.41	1.721	1	4	45.97058	0.43143	0.09193	0.19317	49.77	4.469495
11	MOL002228	Kulactone	452.74	6.233	0	3	45.43808	0.85591	0.1607	0.81578	43.37	5.521435
16	MOL000449	Stigmasterol	412.77	7.64	1	1	43.82985	1.44458	1.00045	0.75665	20.23	5.574595
2	MOL001645	Linoleyl acetate	308.56	6.847	0	2	42.10077	1.35826	1.08413	0.19845	26.3	7.478521
7	MOL002221	Kukoamine A	530.74	1.78	8	10	42.0846	− 0.20726	− 2.11576	0.56398	163.18	0
4	MOL001790	Linarin	592.6	− 0.178	7	14	39.84373	− 1.68135	− 2.76521	0.70925	217.97	16.06778
22	MOL000953	CLR	386.73	7.376	1	1	37.8739	1.43101	1.12678	0.67677	20.23	4.518834
14	MOL000296	Hederagenin	414.79	8.084	1	1	36.91391	1.31876	0.96428	0.75072	20.23	5.347511
15	MOL000358	Beta-sitosterol	414.79	8.084	1	1	36.91391	1.32463	0.98588	0.75123	20.23	5.355491
8	MOL002222	Sugiol	300.48	4.987	1	2	36.11353	1.14054	0.69922	0.27648	37.3	14.61994
3	MOL001689	Acacetin	284.28	2.585	2	5	34.97357	0.67146	− 0.04689	0.24082	79.9	17.24847
6	MOL002219	Atropine	289.41	1.996	2	4	34.52789	0.15341	− 0.29661	0.21417	60.77	3.117746
18	MOL000472	Emodin	270.25	2.492	3	5	24.39832	0.22289	− 0.66096	0.23916	94.83	0
20	MOL000008	Apigenin	270.25	2.334	3	5	23.06216	0.4256	− 0.6109	0.21306	90.9	0
19	MOL000476	Physcion	284.28	2.743	2	5	22.2864	0.52191	− 0.40229	0.26659	83.83	0
13	MOL000295	Alexandrin	576.95	6.337	4	6	20.63194	− 0.1993	− 0.80971	0.62697	99.38	0
10	MOL002226	Lyciumin A	874.02	− 0.238	10	20	10.07929	− 2.51813	− 2.66337	0.1977	306.7	0
21	MOL000880	Tricosane	324.71	10.864	0	0	8.33048	1.84718	1.6799	0.2088	0	0
12	MOL002229	HEPTACOSANE	380.83	12.689	0	0	8.18071	1.87942	1.80044	0.36155	0	0
17	MOL000458	Campesterol	400.76	7.972	1	1	5.568613	1.59665	1.40847	0.71577	20.23	0