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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
(2R,3R,4S,5S,6R)-2-[[(5R,6R)-9-(3,4-dihydroxyphenyl)-2,3,5-trihydroxy-6,7-dihydro-5H-benzo[7]annulen-6-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
478.40
-0.6
9
11
200.53
4
methyl (2S)-2-acetyloxy-2-[(1S,2R,5R,6R,11R,13S,14R,16S)-6-(furan-3-yl)-11,14-dihydroxy-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.02,11.05,10]heptadec-9-en-16-yl]acetate
544.60
1.6
2
10
149.57
6
methyl 2-[(1S,2R,5R,6R,11R,13S,14R,16S)-6-(furan-3-yl)-11,14-dihydroxy-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.02,11.05,10]heptadec-9-en-16-yl]acetate
486.60
1.5
2
8
123.27
4
17-Methoxy-13-methyl-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1,3,8,10,14,16,18,20-octaen-16-ol
336.40
1.1
1
4
47.92
1
2-(4-Methyl-1,3-pentadienyl)-9,10-anthracenedione, 9CI
288.30
5.8
0
2
34.14
2
[(2S,3R,4R,5S,6S)-2-[(2R,3S,4R,5R,6S)-6-[(2Z,6E,10E,14S)-14-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6,10,14-trimethylhexadeca-2,6,10,15-tetraen-2-yl]oxy-4,5-dihydroxy-2-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]oxy-5-hydroxy-6-methyl-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (2E,6E,10Z,14S)-14-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-10-(hydroxymethyl)-2,6,14-trimethylhexadeca-2,6,10,15-tetraenoate
1876.00
-4.3
25
43
679.73
45
(3S,5S,8R,9S,10S,13S,14S,17R)-3-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-5-[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxy-10,13-dimethyl-17-[(2S,6R)-6-methyl-3-oxo-7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyheptan-2-yl]-1,2,3,4,5,6,7,8,9,11,12,14,15,17-tetradecahydrocyclopenta[a]phenanthren-16-one
1345.40
-5.9
18
32
509.04
22
methyl (4aR,5R,6aR,6aS,6bR,8aR,10R,11S,12aR,14bS)-5,11-dihydroxy-9,9-bis(hydroxymethyl)-2,2,6a,6b,12a-pentamethyl-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
696.90
2.2
8
12
206.6
7
(2S,3R,4S,5S,6R)-2-(2,4-dimethoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
316.30
-1.1
4
8
117.84
5
1,3-di-O-acetyl-2-O-[(3r,6s)-3-(acetyloxy)-6-hydroxyeicosanoyl]-glycerol
544.70
7.2
1
9
125.43
28
2-O-[(3r,9r)-3,9-dihydroxy-eicosanoyl]-glycerol
418.60
5.1
4
6
107.22
22
(2R,3S,10R)-2,10-bis(3,4-dihydroxyphenyl)-5-hydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-3,4,9,10-tetrahydro-2H-pyrano[2,3-f]chromen-8-one
598.50
1.1
8
13
215.83
4
(2R,3S,10S)-2,10-bis(3,4-dihydroxyphenyl)-5-hydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-3,4,9,10-tetrahydro-2H-pyrano[2,3-f]chromen-8-one
598.50
1.1
8
13
215.83
4
(3S,4R,5R)-5-[(1R,2R)-1,2-dihydroxy-2-[(2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-6-oxo-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl]-4-ethyl-3-methyloxolan-2-one
520.70
1.2
5
8
144.52
4
[(1S,4aS,6S,7R,7aS)-4-(acetyloxymethyl)-6-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-yl] 3-methylbutanoate
502.60
4
1
9
117.59
12
[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
464.40
3.6
6
10
177.89
5
(E,1S)-4-[(2R,4aS,6R,8aR)-2-[(2S,5R)-5-bromo-2,6,6-trimethyloxan-2-yl]-4a-methyl-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-6-yl]-1-[(2R,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]pent-3-en-1-ol
587.60
4.7
2
6
77.38
6
(2S,3R,4R,5R,6R)-2-methyl-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2R)-1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triol
506.50
-2.7
8
13
207.99
9
3-[4-methoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propanoic acid
358.34
-1.3
5
9
145.91
7
1-(4-hydroxyphenyl)-2-[(2R,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]oxyethanone
460.40
-2.6
7
12
195.6
7
Rha(a1-6)Glc(b)-O-Ph(4-Ac)
444.40
-2.2
6
11
175.37
6
coumaroyl(3-OMe)(-4)a-Rha3Ac
382.40
0.8
3
9
131.75
7
[(2S,3S,4S,5R,6R)-4-acetyloxy-5,6-dihydroxy-2-methyloxan-3-yl] (E)-3-(4-methoxyphenyl)prop-2-enoate
366.40
1.1
2
8
111.52
7
[(2S,3R,4R,5R,6R)-5-acetyloxy-4,6-dihydroxy-2-methyloxan-3-yl] (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
396.40
1.1
2
9
120.75
8
[(2S,3R,4R,5R,6R)-5-acetyloxy-4,6-dihydroxy-2-methyloxan-3-yl] (E)-3-(4-methoxyphenyl)prop-2-enoate
366.40
1.1
2
8
111.52
7
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