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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[(1R,2S,3R,6R)-3-acetyloxy-1-[2-(furan-3-yl)ethyl]-6-hydroxy-2,5,5-trimethyl-2,3,4,6,7,8-hexahydronaphthalen-1-yl]methyl acetate
|
418.50
|
3.2
|
1
|
6
|
85.97
|
8
|
|
|
[(1S,2S,3R,4aR,6R,8aS)-3-acetyloxy-1-[2-(furan-3-yl)ethyl]-6-hydroxy-2,4a-dimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl acetate
|
418.50
|
3.5
|
1
|
6
|
85.97
|
8
|
|
|
[(1S,2S,3S,4R,4aR,8aR)-3,4-diacetyloxy-1-[2-(furan-3-yl)ethyl]-2,4a,5-trimethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl acetate
|
460.60
|
4.3
|
0
|
7
|
92.04
|
10
|
|
|
Glyceryl 1,3-distearate
|
625.00
|
16.2
|
1
|
5
|
72.83
|
38
|
|
|
[(3S,5S,6S,8S,9S,10R,13S,14S,16S,17R)-3-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-17-ethyl-5,6-dihydroxy-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] (4S)-4-methyl-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoate
|
937.10
|
-1.1
|
12
|
20
|
324.44
|
15
|
|
|
(1S,2R,3R,4S,6R,7R,10R,11R,12S)-2,6,11,12-tetrahydroxy-4-methyl-4-[(2R)-3-methyl-5-oxo-2H-furan-2-yl]-9,14-dioxatetracyclo[8.4.0.03,7.07,11]tetradecan-13-one
|
382.40
|
-2.1
|
4
|
9
|
142.75
|
1
|
|
|
[(1R,2S)-2-hydroxy-1-(7-methoxy-2-oxochromen-8-yl)-3-methylbut-3-enyl] 7-methoxy-2-oxochromene-8-carboxylate
|
478.40
|
3.8
|
1
|
9
|
125.41
|
8
|
|
|
(1S,2R,4S,5R,10S,14S,17R)-5-[(2R)-2-hydroxy-1-methylsulfinylpropan-2-yl]-10,14-dimethyl-3,6,16-trioxapentacyclo[8.6.1.02,4.04,9.014,17]heptadec-8-ene-7,15-dione
|
410.50
|
-0.1
|
1
|
8
|
121.64
|
3
|
|
|
[(2R,3R,4S,5R,6S)-4-acetyloxy-6-[[(2Z)-2-[(3,4-dihydroxyphenyl)methylidene]-7-hydroxy-3-oxo-1-benzofuran-6-yl]oxy]-3,5-dihydroxyoxan-2-yl]methyl acetate
|
532.40
|
1
|
5
|
13
|
198.51
|
8
|
|
|
[(1R,2S,3S,4S,6R,7S,10S,11S,16R,17R)-16-chloro-6-[(1R)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-2,17-dihydroxy-7,11-dimethyl-12-oxo-5-oxapentacyclo[8.8.0.02,7.04,6.011,16]octadec-13-en-3-yl] acetate
|
563.10
|
2.9
|
2
|
8
|
122.66
|
4
|
|
|
[(1S,2R,7S,9R,11R,12S,13S,14S,16R,17S)-16-[(1R)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-12-hydroxy-2,17-dimethyl-3-oxo-8,15-dioxahexacyclo[9.8.0.02,7.07,9.012,17.014,16]nonadec-4-en-13-yl] acetate
|
526.60
|
2.6
|
1
|
8
|
114.96
|
4
|
|
|
(2S,12R)-5-hydroxy-6,8,8,10,10-pentamethyl-12-(2-methylpropyl)-2-phenyl-3,12-dihydro-2H-pyrano[2,3-a]xanthene-4,9,11-trione
|
502.60
|
6.5
|
1
|
6
|
89.9
|
3
|
|
|
(2R,3R,4S,5S,6R)-2-[[(2R,3S,4S)-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]oxolan-3-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
582.60
|
0.7
|
6
|
13
|
185.99
|
11
|
|
|
[(2R,3S,4S,5R,6R)-6-[[(1S,4S,5R,17R,19S,20R)-8,20-dihydroxy-5-(4-hydroxy-3-methoxyphenyl)-19-(hydroxymethyl)-9-methoxy-3,14-dioxo-2,15,18-trioxatetracyclo[15.2.1.04,13.06,11]icosa-6,8,10,12-tetraen-19-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate
|
734.70
|
-1.2
|
7
|
18
|
266.66
|
9
|
|
|
(e)-caffeyl alcohol 4-O-beta-d-glucopyranoside
|
328.31
|
-1.6
|
6
|
8
|
139.84
|
5
|
|
|
[(1S,4R,5R,7S,8S,10S,11S,12S,13S,16S)-5,16-diacetyloxy-13-(furan-3-yl)-11-hydroxy-7-(2-methoxy-2-oxoethyl)-6,6,8,12-tetramethyl-17-methylidene-9,15-dioxo-2,14-dioxatetracyclo[8.6.1.01,12.03,8]heptadecan-4-yl] (E)-2-methylbut-2-enoate
|
700.70
|
2.3
|
1
|
14
|
191.17
|
11
|
|
|
[(1S,4R,5R,7S,8S,10S,11S,12S,13S,16S)-5,16-diacetyloxy-13-(furan-3-yl)-11-hydroxy-7-(2-methoxy-2-oxoethyl)-6,6,8,12-tetramethyl-17-methylidene-9,15-dioxo-2,14-dioxatetracyclo[8.6.1.01,12.03,8]heptadecan-4-yl] 2-methylprop-2-enoate
|
686.70
|
2.1
|
1
|
14
|
191.17
|
11
|
|
|
(1R,2R,3R,6R,8S,11S,12S,13S,14R,15R,16S,17R)-2,3,12,15,16-pentahydroxy-9,13,17-trimethyl-11-[(2R,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-9-en-4-one
|
574.60
|
-4.4
|
9
|
14
|
236.06
|
3
|
|
|
(3R,4S)-3-(hydroxymethyl)-4-[(2R)-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-3-en-2-yl]oxan-2-one
|
362.37
|
-1
|
5
|
9
|
145.91
|
7
|
|
|
(4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-3-[(2S,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
|
1075.20
|
0.5
|
13
|
22
|
353.9
|
12
|
|
|
5-Hydroxy-3-(4-hydroxyphenyl)-7-methoxy-6,8-bis(3-methylbut-2-enyl)chromen-4-one
|
420.50
|
6.8
|
2
|
5
|
79.9
|
6
|
|
|
(1S,4aR,5S,8aR)-5-[(3S)-3-hydroxy-3-methylpent-4-enyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carbaldehyde
|
304.50
|
4.2
|
1
|
2
|
37.3
|
5
|
|
|
(2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5R,6R)-2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(1R,2R,4S,5'R,6R,7S,8R,9R,12S,13R,16S)-2-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
1049.20
|
-2.4
|
13
|
23
|
355.29
|
11
|
|
|
(2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5R,6R)-2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(1R,2R,4S,5'S,6R,7S,8R,9R,12S,13R,16S)-2-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
1049.20
|
-2.4
|
13
|
23
|
355.29
|
11
|
|
|
N-[2-(1H-indol-3-yl)ethyl]icosanamide
|
454.70
|
11.3
|
2
|
1
|
44.89
|
21
|
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