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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[5-hydroxy-4-oxo-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2-[4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-7-yl] (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
|
800.70
|
0.2
|
10
|
19
|
304.96
|
12
|
|
|
4,5-Di-O-caffeoyl-1,3-di-O-coumaroylquinic acid
|
808.70
|
6.1
|
7
|
16
|
263.88
|
17
|
|
|
cyclo-(Gly1-Ser-Pro2-Tyr2-Gly2-Tyr1-Pro1-Pro3)
|
818.90
|
0.1
|
8
|
11
|
267.12
|
5
|
|
|
Indioside E
|
855.00
|
1.5
|
8
|
16
|
235.68
|
7
|
|
|
[(2S,3S,4R,5R)-2-[(2R,3R,4S,5S,6R)-3-acetyloxy-6-(acetyloxymethyl)-4,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy-5-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]oxolan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
|
924.80
|
2.5
|
6
|
21
|
299.03
|
23
|
|
|
Triricinolein
|
933.40
|
17.8
|
3
|
9
|
139.59
|
53
|
|
|
(E,E)-4,4''-Bi(N-4-hydroxycinnamoylserotonin)
|
642.70
|
5.7
|
8
|
6
|
170.7
|
11
|
|
|
(1R,2S,3R,6R,8S,9S,13S,14R,15R,16S,17R)-15,16-dihydroxy-9,13-dimethyl-3-(3-methylbutanoyloxy)-4,10-dioxo-11-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-11-ene-17-carboxylic acid
|
670.70
|
-0.4
|
7
|
16
|
256.04
|
8
|
|
|
Norstaminol A
|
678.70
|
4.5
|
1
|
12
|
156.42
|
10
|
|
|
5-[(2R,3R,5S,6S)-3-(3,5-dihydroxyphenyl)-2,6-bis(4-hydroxyphenyl)-4-[(Z)-2-(4-hydroxyphenyl)ethenyl]-2,3,5,6-tetrahydrofuro[3,2-f][1]benzofuran-5-yl]benzene-1,3-diol
|
680.70
|
7.7
|
7
|
9
|
160.07
|
6
|
|
|
(2S,3S,4R,9E)-1,3,4-trihydroxyl-2-[(2'R)-2'-hydroxytetracosanoylamino]-9-octadecene
|
682.10
|
14.9
|
5
|
5
|
110.02
|
38
|
|
|
epicalyxin I
|
686.70
|
7.4
|
5
|
9
|
145.91
|
9
|
|
|
Epicalyxin J
|
686.70
|
6.9
|
4
|
9
|
134.91
|
7
|
|
|
Cryptophycin E
|
687.20
|
5.6
|
3
|
9
|
152.79
|
20
|
|
|
CID 11765370
|
710.70
|
-0.1
|
6
|
16
|
245.04
|
9
|
|
|
3-[(3S,5S,8R,9S,10R,12R,13S,14S,17R)-3-[(2R,3R,4S,5S,6R)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-12,14-dihydroxy-10-(hydroxymethyl)-13-methyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
|
714.80
|
-2.4
|
9
|
15
|
245.29
|
7
|
|
|
(4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-sulfooxyoxan-2-yl]oxy-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
|
714.90
|
4.9
|
6
|
12
|
208.66
|
6
|
|
|
Salvianolic acid L
|
718.60
|
3.9
|
10
|
16
|
289.04
|
13
|
|
|
methyl (1S,4aS,6S,7R,7aS)-6-[(2E,6S)-2,6-dimethyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyocta-2,7-dienoyl]oxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
|
718.70
|
-0.8
|
8
|
17
|
260.59
|
15
|
|
|
Segetalin D
|
719.80
|
2.1
|
7
|
8
|
215.14
|
7
|
|
|
5-[(2R,3S,4R,5R,6S)-6-[2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxy-4-oxochromen-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3-hydroxy-3-methyl-5-oxopentanoic acid
|
724.70
|
0.1
|
5
|
18
|
248.57
|
16
|
|
|
2'',4''-Di-O-(E-p-Coumaroyl)afzelin
|
724.70
|
5.8
|
6
|
14
|
222.65
|
11
|
|
|
(4R,4aR)-6-acetyl-4,4a-dimethyl-3,4,7,8-tetrahydronaphthalen-2-one
|
218.29
|
1.7
|
0
|
2
|
34.14
|
1
|
|
|
cinchonain IIa
|
740.70
|
3.2
|
11
|
15
|
267.29
|
4
|
|
|
(10S,11R,12R,15R)-3,4,5,11,12,13,21,22,23,27,39,40-dodecahydroxy-9,14,17,25,31,36-hexaoxaoctacyclo[30.6.2.02,7.010,15.019,24.026,35.029,34.033,38]tetraconta-1(39),2,4,6,19,21,23,26,28,32(40),33(38),34-dodecaene-8,18,30,37-tetrone
|
782.50
|
0
|
12
|
22
|
374.24
|
0
|
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