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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
4,5-dihydroxy-2-methyl-1-[(10R)-1,8,10-trihydroxy-6-methyl-9-oxo-10-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]anthracen-2-yl]anthracene-9,10-dione
640.60
2.9
8
12
222.28
2
(2S,3R,4R,5R,6S)-2-[(2S,3R,4S,5R,6R)-2-[(2S,3R,4S,5R,6R)-2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,15R,16R)-15-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-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-methyloxane-3,4,5-triol
1195.30
-3.3
15
27
414.21
13
Capreoside
594.50
-0.7
8
15
238.2
8
5,7-dihydroxy-2-[3-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxyphenyl]chromen-4-one
594.50
-1.1
9
15
249.2
6
(2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5-hydroxychromenylium-7-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
595.50
10
14
250.52
7
(2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-7-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
595.50
10
14
250.52
7
(1S,16S,19S)-13,16-dimethyl-19-prop-1-en-2-yl-6-[(1R)-3,3,5-trimethyl-2,11-dihydro-1H-pyrano[3,2-a]carbazol-1-yl]-15-oxa-4-azapentacyclo[14.3.1.02,14.03,11.05,10]icosa-2(14),3(11),5(10),6,8,12-hexaene
594.80
10.4
2
2
50.04
2
L-Oli3Me(a1-4)L-Oli3Me(a1-4)L-Oli3Me(a1-4)a-L-Oli3Me
594.70
0.7
2
13
141.99
10
5-[9-Hydroxy-9-[5-[5-(1-hydroxyundecyl)oxolan-2-yl]oxolan-2-yl]nonyl]-3-(2-oxopropyl)oxolan-2-one
594.90
8.3
2
7
102.29
23
cyclo[Ala-Val-ObAla(3-hexyl)-Gly-Val-Leu]
595.80
4.3
5
7
171.8
9
3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
596.50
-0.8
10
16
269.43
7
2,3,7-trimethoxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyxanthen-9-one
596.50
-1.4
6
15
216.2
8
2,3,5-trimethoxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyxanthen-9-one
596.50
-1.4
6
15
216.2
8
(1R,2S,5R,8R)-2,6,6-trimethyl-7-methylidenetricyclo[6.2.1.01,5]undecan-2-ol
220.35
3.1
1
1
20.23
0
methyl (3aS,4S,5S,6E,10E,11aR)-5-acetyloxy-4-[2-(hydroxymethyl)prop-2-enoyloxy]-10-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-carboxylate
434.40
1.3
1
9
125.43
8
(3S,4R,5S)-4-hydroxy-3-[(13R)-13-hydroxy-13-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-yl]tridecyl]-5-methyloxolan-2-one
624.90
10.4
3
7
105.45
25
(1S,4aR,6aR,6aS,6bR,8aR,9R,10R,11R,12aR,14bS)-9-[[(2S,3R,6R)-2,3,4,4,5,5-hexahydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]-1,10,11-trihydroxy-9-(hydroxymethyl)-2,2,6a,6b,12a-pentamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
714.80
-0.2
12
14
269.06
5
[(2R,3S,4S,5R,6S)-6-[4-[(8aS)-7-methyl-1,2,3,5,8,8a-hexahydroindolizin-6-yl]phenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
597.70
2.1
4
11
147.38
10
(2S,3S)-N-[(2S)-1-[(3S,7S,10S,13Z)-10-[(2R)-butan-2-yl]-8,11-dioxo-2-oxa-6,9,12-triazatricyclo[13.2.2.03,7]nonadeca-1(18),13,15(19),16-tetraen-6-yl]-4-methyl-1-oxopentan-2-yl]-2-(dimethylamino)-3-methylpentanamide
597.80
5
3
6
120.08
10
methyl (1R,2R,5S,8S,14R,15R)-5-ethyl-2-(hydroxymethyl)-6-azapentacyclo[9.5.1.01,5.02,8.014,17]heptadec-11(17)-ene-15-carboxylate
345.50
1.6
2
4
58.56
4
6-[(3,4-Dihydroxy-2-methoxyphenyl)methyl]-5-(3,4-dihydroxyphenyl)-9,10-dihydroxy-1,3-dimethoxybenzo[a]xanthen-2-one
598.60
3.3
6
11
179.28
6
[(1R,2R,5S,6S,9S,11R,12S,13S,14R,17R,18R,20S,21R)-18-acetyloxy-6-(furan-3-yl)-13-hydroxy-1,5,12,17-tetramethyl-8-oxo-7,10,15-trioxahexacyclo[12.6.1.02,12.05,11.09,11.017,21]henicosan-20-yl] (E)-2-methylbut-2-enoate
598.70
3.9
1
10
134.03
6
N-[2-(4-hydroxyphenyl)ethyl]dotriacontanamide
600.00
17.1
2
2
49.33
33
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-[(2S)-9-hydroxy-7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl]propan-2-yloxy]oxan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
600.60
1.7
5
13
194.58
9
[(1S,2S,4R,5S,6S,10R,11R,14S,15S,18S,20R)-4,15-diacetyloxy-6-(furan-3-yl)-11,18-dihydroxy-5,10,14-trimethyl-3-oxo-16-oxapentacyclo[12.3.3.01,13.02,10.05,9]icos-8-en-20-yl] acetate
600.70
1.9
2
11
158.8
7
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