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 |