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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
[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
1091.20
-0.8
14
23
374.13
13
[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
1059.20
0.9
12
21
333.67
11
(22s,25r)-3beta,11alpha,16beta,22-Tetrahydroxycholest-5-en-26-yl beta-d-glucopyranoside
612.80
1.5
8
10
180.3
9
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2S)-4-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]butan-2-yl]oxyoxane-3,4,5-triol
390.50
-0.1
5
8
132.14
6
(1S,4S,7R,11R,12S)-14,16-dihydroxy-1,5,5-trimethyl-8-methylidene-12-phenyl-19-oxatetracyclo[9.8.0.04,7.013,18]nonadeca-13,15,17-triene-15,17-dicarbaldehyde
474.60
6.6
2
5
83.83
3
Kuguaglycoside C
616.80
4.8
5
8
136.68
8
(1R,4S,5S,8R,9R,12S,13S,16S)-8-[(E,2R)-6-methoxy-6-methylhept-4-en-2-yl]-5,9,17,17-tetramethyl-16-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-2-en-19-one
646.80
4.8
4
9
134.91
8
(2S,3R,4S,5S,6R)-2-[3-hydroxy-5-[(Z)-5-hydroxypent-2-enyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
356.40
-0.3
6
8
139.84
7
(E)-2-methyl-5-(2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)pent-3-ene-1,2-diol
236.35
2.4
2
2
40.46
4
(2R,5S,7R,9R,12R,15R,16R)-15-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-5-hydroxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-1(11)-en-10-one
426.60
5.9
1
3
49.83
4
2-hydroxy-N-[(6R,7R)-6-hydroxy-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
431.40
-0.6
3
8
123.55
6
N-[(6R,7R)-6-hydroxy-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]formamide
401.40
0.1
2
7
103.32
5
[(1R,2S,5R,6R,13S,14R,16S)-6-(furan-3-yl)-16-(2-methoxy-2-oxoethyl)-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.02,11.05,10]heptadec-10-en-14-yl] (Z)-2-methylbut-2-enoate
552.70
4
0
8
109.11
7
methyl (2R)-2-acetyloxy-2-[(1R,2S,5R,6R,13S,16S)-6-(furan-3-yl)-1,5,15,15-tetramethyl-8,14,17-trioxo-7-oxatetracyclo[11.3.1.02,11.05,10]heptadec-10-en-16-yl]acetate
526.60
2.6
0
9
126.18
6
(2R,4aS,4bS,7R,8aS)-2-ethenyl-7-hydroxy-2,4b,8,8-tetramethyl-4,4a,5,6,7,8a,9,10-octahydrophenanthren-3-one
302.50
3.9
1
2
37.3
1
3-[(3S,4S,5R,8R,9R,10R,13R,14R,15R)-4,9,10,13-tetramethyl-3-propan-2-yl-15-prop-1-en-2-yl-2,3,5,6,7,8,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-4-yl]propanoic acid
442.70
10
1
2
37.3
5
beta-Santalal
218.33
3.9
0
1
17.07
4
(3'S,4'S,9S,9aS)-4'-hydroxy-3'-methylspiro[2,5,6,7,8,9a-hexahydro-1H-pyrrolo[1,2-a]azepine-9,5'-oxolane]-2',3-dione
253.29
0.1
1
4
66.84
0
methyl (E)-3-[(1R,2S,4S,7R,8S)-1'-methoxy-2'-oxospiro[10-oxa-5-azatricyclo[5.3.1.04,8]undec-5-ene-2,3'-indole]-6-yl]but-2-enoate
396.40
1.3
0
6
77.43
4
methyl (E)-3-[(1R,2S,4S,7R,8S)-1',6'-dimethoxy-2'-oxospiro[10-oxa-5-azatricyclo[5.3.1.04,8]undec-5-ene-2,3'-indole]-6-yl]but-2-enoate
426.50
1.2
0
7
86.66
5
methyl (1R,4S,7S,14R,20R,21S,24E,26S,38S,39S)-24-ethylidene-39-methyl-11-oxido-3,22,27-triaza-11-azoniadodecacyclo[20.11.2.13,15.14,7.17,11.121,25.01,20.04,14.020,27.028,33.014,38.019,37]nonatriaconta-15(37),16,18,28,30,32-hexaene-26-carboxylate
630.80
4.8
0
6
59.08
2
methyl (1R,4S,7S,14R,20R,21S,24E,26S,38S,39S)-24-ethylidene-39-methyl-3,11,22,27-tetrazadodecacyclo[20.11.2.13,15.14,7.17,11.121,25.01,20.04,14.020,27.028,33.014,38.019,37]nonatriaconta-15(37),16,18,28,30,32-hexaene-26-carboxylate
614.80
5.4
0
6
39.26
2
1,2,9,10-Tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
355.40
3.4
0
5
40.16
4
(2R,3R,4R,5R,6S)-2-[[(2S,3R,4R,5S)-3,4-dihydroxy-5-[(2R,3S,4S,5R,6R)-4-hydroxy-2-(hydroxymethyl)-6-[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxyoxolan-2-yl]methoxy]-6-methyloxane-3,4,5-triol
1001.20
-0.2
10
20
294.6
10
(4R)-4-[(3R)-3-hydroxybutyl]-5,5-dimethyl-3-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]cyclohex-2-en-1-one
388.50
-0.9
5
8
136.68
7
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