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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(2R,3R)-2-(3,4-dihydroxyphenyl)-3-(hydroxymethyl)-2,3-dihydropyrano[2,3-g][1,4]benzodioxin-7-one
|
342.30
|
1.8
|
3
|
7
|
109.36
|
2
|
|
|
7-[(2E)-3,7-dimethylocta-2,6-dienyl]-1,3,5,6-tetrahydroxyxanthen-9-one
|
396.40
|
5.9
|
4
|
6
|
111.13
|
5
|
|
|
2-[[(1R,4S,5S,8R,9R,12S,13S,16S,19S)-19-methoxy-8-[(E,2R)-6-methoxy-6-methylhept-4-en-2-yl]-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-2-en-16-yl]oxy]-2-oxoacetic acid
|
572.80
|
7.3
|
1
|
7
|
91.29
|
9
|
|
|
[(1S,2S)-2-[(1R,3S,7R,10S,13R,15R,16S,18R)-2,15-dihydroxy-9,9,18-trimethyl-5,14-dioxo-4,8,21-trioxahexacyclo[13.5.1.01,13.03,7.03,10.016,18]henicosan-17-yl]-1-[(2S)-4-methyl-5-oxooxolan-2-yl]propyl] acetate
|
590.70
|
1.5
|
2
|
11
|
154.89
|
5
|
|
|
(1S,2R,7S,9R,11R,12R,15S,16S)-15-[(2S,3R)-2,3-dihydroxy-4-[(3S,4R)-4-methyl-5-oxooxolan-3-yl]butan-2-yl]-12,15-dihydroxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one
|
504.60
|
1.7
|
4
|
8
|
136.82
|
4
|
|
|
(1S,5R,7S,8aS)-1-methyl-4-methylidene-7-prop-1-en-2-yl-2,5,6,7,8,8a-hexahydro-1H-azulen-5-ol
|
218.33
|
3.3
|
1
|
1
|
20.23
|
1
|
|
|
(10E)-17-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2R,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxytricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),10,14(18),15-heptaen-9-one
|
588.60
|
0.1
|
7
|
12
|
195.6
|
5
|
|
|
[(1S,3bR,4R,5aR,10aR,10bR,11R,12aS)-4-hydroxy-1-[(2R,3S,5R)-5-[(1S)-1-hydroxy-2-methoxy-2-methylpropyl]-2-methoxyoxolan-3-yl]-3b,6,6,10a,12a-pentamethyl-8-oxo-1,2,4,5,5a,10b,11,12-octahydroindeno[5,4-g][2]benzoxepin-11-yl] (E)-2-methylbut-2-enoate
|
644.80
|
5
|
2
|
9
|
120.75
|
8
|
|
|
(2S,3S)-3-(3,4-dihydroxyphenyl)-2-(hydroxymethyl)-2,3-dihydropyrano[3,2-g][1,4]benzodioxin-7-one
|
342.30
|
1.8
|
3
|
7
|
109.36
|
2
|
|
|
(+/-)-9-Hydroxy-5-oxo-2,3,4,5-tetrahydro-1h-benzo[b]azepine-2-carboxamide
|
220.22
|
0.4
|
3
|
4
|
92.42
|
1
|
|
|
(10S,11R,12R,13S,15R)-13-[2-[3-(3,4-dihydroxyphenyl)propanoyl]-3,5-dihydroxyphenoxy]-3,4,5,11,12,21,22,23-octahydroxy-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaene-8,18-dione
|
754.60
|
2
|
12
|
19
|
330.89
|
6
|
|
|
[(1S,2S,4R,5R,8R,10S,11R,13R,15R)-1-hydroxy-4,8,12,12,15-pentamethyl-9-oxo-5-tetracyclo[8.5.0.02,6.011,13]pentadec-6-enyl] acetate
|
360.50
|
3
|
1
|
4
|
63.6
|
2
|
|
|
2-[(2R,3R,3aR,5aR,6E,9aS,9bS)-3-[(E,2R)-6-acetyloxy-2-hydroxy-6-methyl-3-oxohept-4-en-2-yl]-6-(carboxymethylidene)-2-hydroxy-3a,5a,9b-trimethyl-5-oxo-1,2,3,4,9,9a-hexahydrocyclopenta[a]naphthalen-7-yl]-2-methylpropanoic acid
|
588.70
|
2.4
|
4
|
10
|
175.5
|
9
|
|
|
(1S,2R,5R,7S,10R,12S,15R,16R,17S,18R,21R,22R,24R,25R)-1,6,6,15,17,20,20-heptamethyl-7-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-19,23-dioxaheptacyclo[13.10.0.02,12.05,10.010,12.016,24.018,22]pentacosane-21,22,25-triol
|
636.80
|
2.7
|
6
|
10
|
158.3
|
2
|
|
|
[(1R,5S,6R)-3-(hydroxymethyl)-5-[(Z)-2-methylbut-2-enoyl]oxy-4-oxo-6-propan-2-ylcyclohex-2-en-1-yl] (Z)-2-methylbut-2-enoate
|
364.40
|
3.7
|
1
|
6
|
89.9
|
8
|
|
|
4-(1,7-Diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-yl)-1-piperidin-1-ylbutan-1-one
|
327.50
|
2.7
|
0
|
3
|
36.44
|
4
|
|
|
(2R,3R,4S,5S,6R)-2-[(E)-3-[(2S,3R)-2-[3,5-dimethoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]prop-2-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
712.70
|
-1.5
|
9
|
17
|
255.91
|
13
|
|
|
(2S,3S)-2-(3,4-dihydroxyphenyl)-3-(hydroxymethyl)-5-methoxy-2,3-dihydropyrano[3,2-g][1,4]benzodioxin-7-one
|
372.30
|
1.8
|
3
|
8
|
118.59
|
3
|
|
|
methyl (1S,10S,14S,15R,18S)-17-ethyl-10-hydroxy-14-(2-oxopropyl)-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2,4,6,8-tetraene-1-carboxylate
|
410.50
|
2.1
|
1
|
6
|
79.2
|
5
|
|
|
5-(Ethoxymethyl)-1-[2-(4-hydroxyphenyl)ethyl]pyrrole-2-carbaldehyde
|
273.33
|
2
|
1
|
3
|
51.46
|
7
|
|
|
methyl (1R,12R,13R,14S,15E)-1-[(1R,15R,17S,18S)-17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-6-yl]-15-ethylidene-17-methyl-3-aza-17-azoniapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8-tetraene-13-carboxylate
|
615.80
|
5.9
|
2
|
3
|
61.12
|
4
|
|
|
(3aS,5R)-3,8-dimethyl-5-prop-1-en-2-yl-4,5,6,7-tetrahydro-3aH-azulen-1-one
|
216.32
|
3.4
|
0
|
1
|
17.07
|
1
|
|
|
3-[[(3S,7S,8S,9R,10R,13R,14S,17R)-9-formyl-7-methoxy-17-[(2R,4S)-4-methoxy-6-methylhept-5-en-2-yl]-4,4,13,14-tetramethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3-oxopropanoic acid
|
586.80
|
6.6
|
1
|
7
|
99.13
|
11
|
|
|
(10R,11S,12R)-10,11,12,17-tetrahydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),14(18),15-hexaen-9-one
|
506.50
|
-0.8
|
8
|
11
|
197.37
|
3
|
|
|
(1S,3aS,7R,7aS)-1-[[2-(4-hydroxyphenyl)acetyl]oxymethyl]-7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,3a,6,7,7a-hexahydro-1H-indene-4-carboxylic acid
|
508.50
|
0.5
|
6
|
11
|
183.21
|
9
|
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