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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,2S,6S,7S,9R,13R,17S)-15-hydroxy-4-methoxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-4,14-diene-3,11,16-trione
374.40
2.1
1
6
89.9
1
(1S,2S,6S,7S,9R,13S,14R,15S,17S)-15-hydroxy-4-methoxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-4-ene-3,11,16-trione
376.40
2.1
1
6
89.9
1
[(1S,2R,3S,4R,5S,6S,9R,10R,13R,14R,16S,17S,18R)-11-ethyl-5,14-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadec-7-en-4-yl] 3,4-dimethoxybenzoate
629.70
0.8
2
11
125.38
11
(1S,2S,6S,7S,9R,13S,14R,16S,17S)-16-hydroxy-4-methoxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-4-ene-3,11,15-trione
376.40
2.1
1
6
89.9
1
[(6R,7R,12R,14R,15S,16S,17R,18S,20S)-19,20-diacetyloxy-6-(furan-3-yl)-16-(2-methoxy-2-oxoethyl)-7,12,15,17-tetramethyl-4-oxo-5,11,13,21-tetraoxaheptacyclo[10.8.1.114,17.01,10.02,7.010,15.014,19]docos-2-en-18-yl] (E)-2-methylbut-2-enoate
724.70
2.6
0
14
172.33
11
(1R,2R,5R,8S,9R)-4,4,8-trimethyltricyclo[6.3.1.02,5]dodecane-1,9-diol
238.37
2.8
2
2
40.46
0
Cepharanthine
606.70
6.5
0
8
61.86
2
(1R,12R)-15-methoxy-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13,15,17-hexaen-16-ol
314.29
2.4
1
6
66.38
1
Rheediaxanthone A
392.40
4.7
2
6
89.13
0
(3S,5R,8R,9S,10R,13R,14S,17R)-14-hydroxy-3-[(4S,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
532.70
1.7
2
8
111.52
5
d-Glycero-d-manno-octulose
240.21
-4.5
7
8
158.68
7
(1R,3'S,4R,4'R,5'S,6S,7R,8R,12S,13R,14R,16R)-14-[(2S,3R,4S,5S)-3-[(2S,3R,4R,5S,6S)-4-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3',4',16-trihydroxy-7-(hydroxymethyl)-5',13-dimethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-2(9),18-diene-6,2'-oxane]-3-one
1019.00
-5.9
13
24
372.36
10
Anhydrohirundigenin
344.40
1.9
1
4
47.92
0
[(1R,2R,5S,6R,10R,11S,12R,15R,16R,18S,19R)-6-(furan-3-yl)-16-hydroxy-1,5,10,15-tetramethyl-11-[(E)-2-methylbut-2-enoyl]oxy-13-oxapentacyclo[10.6.1.02,10.05,9.015,19]nonadec-8-en-18-yl] (E)-2-methylbut-2-enoate
592.80
6.6
1
7
95.2
7
(1R,3S,5R,8R,10S,12S)-5,10-dimethyl-15-methylidene-4,9,13-trioxatetracyclo[10.3.0.03,5.08,10]pentadecan-14-one
264.32
1.7
0
4
51.36
0
[(1S,2S,4S,7R,9R,11S,13R,14S,15R,16S,17R)-15-acetyloxy-16-(1,3-benzodioxole-5-carbonyl)-14-hydroxy-2,14,17-trimethyl-3-oxo-11-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-10-oxatetracyclo[7.7.1.02,7.013,17]heptadecan-4-yl] acetate
748.80
0.8
5
16
234.04
9
(1S,2S,7R,9R,11S,13R,17S)-4,15-dimethoxy-2,14,17-trimethyl-11-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-10-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-4,14-diene-3,16-dione
538.60
0.3
4
11
161.21
5
(1S,2S,7R,9R,13R,17S)-11-hydroxy-4,15-dimethoxy-2,14,17-trimethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-4,14-diene-3,16-dione
376.40
1.9
1
6
82.06
2
(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S,18R,19R)-16,18-dihydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.7.0.02,9.04,8.013,18]nonadecane-6,2'-oxane]-19-carbaldehyde
446.60
4.4
2
5
75.99
1
(3R,4R)-4-(1,3-Benzodioxol-5-ylmethyl)dihydro-3-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-2(3H)-furanone
384.40
3.6
0
7
72.45
5
(4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-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-carboxylic acid
797.00
3.1
9
14
236.06
8
(4aS,6aR,6aS,6bR,8R,8aR,9R,10R,11S,12aR,14bS)-8,11-dihydroxy-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-carboxylic acid
666.80
2.4
8
11
197.37
5
(E)-4-[(1R)-2,6,6-trimethyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohex-2-en-1-yl]but-3-en-2-one
370.40
0.1
4
7
116.45
5
[(2S,3R,4S,5R)-2-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4,5-dihydroxyoxan-3-yl] tetracosanoate
895.40
19.3
2
6
85.22
31
(2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5S)-2-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4,5-dihydroxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
706.90
5.4
6
10
158.3
10
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