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Chemical Library

Physicochemical properties (MW, LogP) of all entries.

Total Rows 105,909
Pages 4,237
BIMP_ID Name Mol Weight LogP HBD HBA TPSA Rotatable Bonds
(1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4-dihydroxy-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid
530.50
1.9
6
12
200.28
10
[(5R,7R,8R,9S,10S,11R,13S,17S)-17-[(2S,3S,5R)-5-[(2S)-3,3-dimethyloxiran-2-yl]-2-hydroxyoxolan-3-yl]-7-hydroxy-4,4,10,13-tetramethyl-3-oxo-6,7,8,9,11,12,16,17-octahydro-5H-cyclopenta[a]phenanthren-11-yl] 2-methylbutanoate
570.80
4.8
2
7
105.59
6
(1R,10S,12S)-4,5,12-trimethoxy-9-azatetracyclo[7.5.2.01,10.02,7]hexadeca-2,4,6,13-tetraene
301.40
2.4
0
4
30.93
3
[(1R,3S,5R,6R,7S,8R,10S,12S,13R,14R,15R,27S,29R,31R,32R,33S)-6,14,32,33-tetrahydroxy-5-(hydroxymethyl)-12,31-dimethyl-13-[(2S)-2-methylbutanoyl]oxy-17-oxo-27-pentyl-2,4,9,11,16,28,30-heptaoxatetracyclo[27.4.0.03,8.010,15]tritriacontan-7-yl] (11S)-11-[(2R,3R,4S,5R,6R)-3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxyhexadecanoate
1501.80
6.4
13
31
452.65
32
[(1R,3S,5R,6R,7S,8R,10S,12R,13S,14S,15R,27S,29R,31R,32R,33S)-6,13,14,32,33-pentahydroxy-5-(hydroxymethyl)-12,31-dimethyl-17-oxo-27-pentyl-2,4,9,11,16,28,30-heptaoxatetracyclo[27.4.0.03,8.010,15]tritriacontan-7-yl] (11S)-11-[(2R,3R,4S,5R,6R)-3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxyhexadecanoate
1417.70
4.4
14
30
446.58
28
[(1R,3S,5R,6S,7S,8R,10S,12R,13S,14S,15R,27S,29R,31R,32R,33S)-6,7,13,14,32,33-hexahydroxy-12,31-dimethyl-17-oxo-27-pentyl-2,4,9,11,16,28,30-heptaoxatetracyclo[27.4.0.03,8.010,15]tritriacontan-5-yl]methyl (11S)-11-[(2R,3R,4S,5R,6R)-3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxyhexadecanoate
1417.70
3.9
14
30
446.58
28
[(5R,7R,8R,9S,10S,11R,13S,17S)-17-[(2S,3S,5R)-5-[(1S)-1,2-dihydroxy-2-methylpropyl]-2-hydroxyoxolan-3-yl]-7-hydroxy-4,4,10,13-tetramethyl-3-oxo-6,7,8,9,11,12,16,17-octahydro-5H-cyclopenta[a]phenanthren-11-yl] (2R)-2-methylbutanoate
588.80
3.8
4
8
133.52
7
[(5R,7R,8R,9S,10S,11R,13S,17S)-7-acetyloxy-17-[(3S,5R)-5-[(1S)-1,2-dihydroxy-2-methylpropyl]-2-hydroxyoxolan-3-yl]-4,4,10,13-tetramethyl-3-oxo-6,7,8,9,11,12,16,17-octahydro-5H-cyclopenta[a]phenanthren-11-yl] (2R)-2-methylbutanoate
630.80
4.3
3
9
139.59
9
[(1S,3bR,4R,5aR,10aR,10bS,11R,12aS)-1-[(2S,3S,5R)-5-[(1S)-1,2-dihydroxy-2-methylpropyl]-2-hydroxyoxolan-3-yl]-4-hydroxy-6,6,10a,12a-tetramethyl-8-oxo-2,3b,4,5,5a,10b,11,12-octahydro-1H-indeno[5,4-g][2]benzoxepin-11-yl] (2R)-2-methylbutanoate
604.80
3.6
4
9
142.75
7
[(5R,7R,8R,9S,10S,11R,13S,17S)-7-acetyloxy-17-[(3S,5R)-5-[(2S)-3,3-dimethyloxiran-2-yl]-2-hydroxyoxolan-3-yl]-4,4,10,13-tetramethyl-3-oxo-6,7,8,9,11,12,16,17-octahydro-5H-cyclopenta[a]phenanthren-11-yl] (2R)-2-methylbutanoate
612.80
5.3
1
8
111.66
8
Naringin 6a(2)a(2)-malonate
666.60
-0.8
8
17
268.43
10
(4R)-4-[(1S,3R,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-6-oxo-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]pentanal
398.60
6.7
0
2
34.14
4
(2R)-2-[(3R,8S,9R,10S,13R,14S,16R,17R)-3-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-16-hydroxy-4,4,9,13,14-pentamethyl-11-oxo-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-5-(2-hydroxypropan-2-yl)-2-methylfuran-3-one
808.90
0
8
15
242.13
7
(3S,9E)-heptadeca-1,9,16-trien-4,6-diyn-3-ol
242.36
5
1
1
20.23
9
Phillyrin
534.60
0
4
11
145.53
8
[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9R,10R,11S,12aR,14bS)-10,11-dihydroxy-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-carboxylate
959.10
0.8
12
19
315.21
10
1-O-(3,4-Dihydroxybenzoyl)-beta-D-glucopyranose
316.26
-1.1
6
9
156.91
4
(1S,3R,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-6-oxoheptan-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-one
426.70
7.5
0
2
34.14
5
(3R)-3-[(1S,3R,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-6-oxo-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]butanal
384.60
6.4
0
2
34.14
3
(1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bS)-10-hydroxy-1,2,6b,9,9,12a-hexamethyl-7-oxo-1,2,3,4,5,6,6a,8,8a,10,11,12,13,14b-tetradecahydropicene-4a,6a-dicarboxylic acid
500.70
4.2
3
6
111.9
2
(2R,4aR,5R,6aR,6aR,6bR,8aR,10S,12aR,14bS)-5-hydroxy-10-methoxy-2,6b,9,9,12a-pentamethyl-1-methylidene-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a,6a-dicarboxylic acid
514.70
5.4
3
6
104.06
3
2-(3,4-Dihydroxyphenyl)-3-[[2-O-[2-O-[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]-I(2)-D-glucopyranosyl]-I(2)-D-glucopyranosyl]oxy]-7-(I(2)-D-glucopyranosyloxy)-5-hydroxy-4H-1-benzopyran-4-one
950.80
-1.1
15
25
415.34
14
2-(3,4-Dihydroxyphenyl)-7-(I(2)-D-glucopyranosyloxy)-5-hydroxy-3-[[2-O-[2-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]-I(2)-D-glucopyranosyl]-I(2)-D-glucopyranosyl]oxy]-4H-1-benzopyran-4-one
964.80
-0.8
14
25
404.34
15
[(2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
934.80
-0.7
14
24
395.11
14
7-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-methoxy-3-(4-methoxyphenyl)chromen-4-one
608.50
-0.1
7
15
227.2
9
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