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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
(1R,4S,8R,9R,10S,12R)-9-[2-(furan-3-yl)-2-oxoethyl]-9,10,12-trimethyl-2-oxatricyclo[6.3.1.04,12]dodecan-3-one
330.40
4
0
4
56.51
3
(1S,4R,8S,9R,11S,12S,14R)-11-(furan-3-yl)-11-hydroxy-9,12,14-trimethyl-2-oxatetracyclo[6.5.1.04,14.09,12]tetradecane-3,10-dione
344.40
2.7
1
5
76.74
1
(5R,6S)-2,2,6,9-tetramethyl-3,4,5,6-tetrahydro-1-benzoxocine-5,8-diol
250.33
3
2
3
49.69
0
(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
450.40
0.2
7
11
186.37
4
7-[4-[(2S,3R,4S,5S,6R)-3-(4-acetyl-2-methoxyphenoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-9-methoxy-[1,3]dioxolo[4,5-g]chromen-8-one
800.70
0.7
7
19
271.96
12
(2S,3R,4S,5S,6R)-2-[2-[(2R,4aR,5S,8R,8aR)-5,8-dihydroxy-4a,8-dimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]propan-2-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol
418.50
0
6
8
139.84
4
(2S,3R,4S,5S,6R)-2-[2-[(2R,4aR,5R,6S,8aS)-5,6-dihydroxy-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]propan-2-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol
416.50
-0.4
6
8
139.84
4
(2S,3R,4S,5S,6R)-2-[2-[(2R,4aR,5S,8aS)-5-hydroxy-4a-(hydroxymethyl)-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]propan-2-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol
416.50
-0.1
6
8
139.84
5
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[2-[(1R,4R,6R,7S,10S)-10-hydroxy-7-methyl-12-oxatricyclo[5.3.2.01,6]dodecan-4-yl]propan-2-yloxy]oxane-3,4,5-triol
416.50
-0.2
5
8
128.84
4
(1S,4R,6R,7S,10S)-10-hydroxy-7-methyl-4-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-12-oxatricyclo[5.3.2.01,6]dodecan-11-one
430.50
-0.5
5
9
145.91
4
(3S,4aS,8aS)-5,8a-dimethyl-3-prop-1-en-2-yl-2,3,4,4a,7,8-hexahydro-1H-naphthalene
204.35
5.2
0
0
0
1
[(1R,4R,5R,7S,8R,9R,10R,11S,12R)-5,7-diacetyloxy-10-[(3R,5R)-3-(furan-3-yl)-5-methoxy-2-methylcyclopenten-1-yl]-9-(2-methoxy-2-oxoethyl)-4,8,10-trimethyl-2-oxatricyclo[6.3.1.04,12]dodecan-11-yl] (E)-2-methylbut-2-enoate
670.80
4.1
0
11
136.8
13
[(1R,4R,5R,7S,8R,9R,10R,11S,12R)-5,7-diacetyloxy-10-[(3R,5S)-3-(furan-3-yl)-5-methoxy-2-methylcyclopenten-1-yl]-9-(2-methoxy-2-oxoethyl)-4,8,10-trimethyl-2-oxatricyclo[6.3.1.04,12]dodecan-11-yl] benzoate
692.80
4.5
0
11
136.8
13
[(1R,4R,5R,7S,8R,9R,10R,11S,12R)-5,7-diacetyloxy-10-[(3R,5S)-3-(furan-3-yl)-5-methoxy-2-methylcyclopenten-1-yl]-9-(2-methoxy-2-oxoethyl)-4,8,10-trimethyl-2-oxatricyclo[6.3.1.04,12]dodecan-11-yl] (E)-2-methylbut-2-enoate
670.80
4.1
0
11
136.8
13
[(E,2S,3R,5S)-5-acetyloxy-3-hydroxy-7-[(2S,3S)-3-hydroxy-6-oxo-2,3-dihydropyran-2-yl]hept-6-en-2-yl] acetate
342.34
-0.1
2
8
119.36
9
[(2S,3S,4R)-4-methoxy-6-oxo-2-[(E,3S,5R,6S)-3,5,6-triacetyloxyhept-1-enyl]oxan-3-yl] acetate
458.50
0.6
0
11
140.73
14
(1R,4S,5R,8S,9S,10R)-9-[(2R,3R)-3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]-4,8-dihydroxy-10-(4-hydroxyphenyl)-2,6,11-trioxatricyclo[6.3.0.01,5]undecan-7-one
628.60
2.3
7
12
195.6
4
[3-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl 3-hydroxy-4-methoxybenzoate
452.40
-0.4
6
11
175.37
8
methyl 2-[(1S,3R,4R,5R,7S,8R,10R,11S,12S,13S,16S)-4,5,16-triacetyloxy-13-(furan-3-yl)-11-hydroxy-6,6,8,12-tetramethyl-17-methylidene-9,15-dioxo-2,14-dioxatetracyclo[8.6.1.01,12.03,8]heptadecan-7-yl]acetate
660.70
1.1
1
14
191.17
10
[(1S,3R,4R,5R,7S,8R,10R,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-methylbutanoate
702.70
2.5
1
14
191.17
12
[(1S,3R,4R,5R,7S,8R,10R,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-methylpropanoate
688.70
2.1
1
14
191.17
11
(2S,3R,4S,5S,6R)-2-[4-[5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-2-yl]-2-hydroxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
611.50
11
15
270.75
7
3-[[6-O-(2-Carboxyacetyl)-3-O-I(2)-D-glucopyranosyl-I(2)-D-glucopyranosyl]oxy]-2-[4-(I(2)-D-glucopyranosyloxy)-3-hydroxyphenyl]-5,7-dihydroxy-1-benzopyrylium
859.70
14
23
393.27
14
Peonidin 3-(6''-malonyl-glucoside) 5-glucoside
711.60
10
18
303.12
12
3-[(2S,3R,4S,5R,6R)-6-[[(2R,3R,4R,5R,6S)-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
726.60
-2.2
11
19
308.12
9
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