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SCFBio, IIT Delhi Hauz Khas, New Delhi

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
(3S)-3-(2,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydrochromen-4-one
272.25
2
3
5
86.99
1
1-[(8R,9S,10R,13S,14S)-10,13-dimethyl-3-(methylamino)-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanol
329.50
3.8
2
2
32.26
2
[(2R,3R,4S,5R,6R)-2-[[(1R,2S,6R,10S,11R,13S,15R)-13-acetyloxy-1,6-dihydroxy-4,12,12,15-tetramethyl-5-oxo-8-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl]methoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] 3,4,5-trihydroxybenzoate
704.70
0.3
8
15
249.97
9
[(2R,3S,4R,5R,6R)-6-[[(1R,2S,6R,10S,11R,13S,15R)-13-acetyloxy-1,6-dihydroxy-4,12,12,15-tetramethyl-5-oxo-8-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl]methoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl] 3,4,5-trihydroxybenzoate
704.70
-0.3
8
15
249.97
9
(4aS,10aS,11S,11aR,11bR)-11-hydroxy-8-(hydroxymethyl)-4,4,11b-trimethyl-1,2,4a,5,6,10a,11,11a-octahydronaphtho[2,1-f][1]benzofuran-3,9-dione
346.40
1.3
2
5
83.83
1
(4aS,6S,10aS,11S,11aS,11bR)-6,11-dihydroxy-8-(hydroxymethyl)-4,4,11b-trimethyl-1,2,4a,5,6,10a,11,11a-octahydronaphtho[2,1-f][1]benzofuran-3,9-dione
362.40
0
3
6
104.06
1
(4aR,6aS,7S,10aR,11aS,11bR)-6a,7-dihydroxy-4,4,8,11b-tetramethyl-2,3,4a,5,6,7,10a,11a-octahydro-1H-naphtho[2,1-f][1]benzofuran-9,11-dione
348.40
2.3
2
5
83.83
0
(4aR,10aS,11R,11aR,11bR)-10a,11-dihydroxy-8-(hydroxymethyl)-4,4,11b-trimethyl-1,2,3,4a,5,6,11,11a-octahydronaphtho[2,1-f][1]benzofuran-9-one
348.40
2.3
3
5
86.99
1
[(1S,2S,6R,10R,11R,13S,15S)-6,15-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-13-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] acetate
390.50
0.5
3
6
104.06
3
(1R,2S,6R,10S,11R,13S,15R)-13-acetyloxy-1,6-dihydroxy-4,12,12,15-tetramethyl-5-oxotetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-diene-8-carboxylic acid
404.50
1.3
3
7
121.13
3
(2R,3R)-2,3-Dihydro-3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-4H-1-benzopyran-4-one
332.30
2.1
3
7
105.45
3
(2S,3S)-2-(3,4-dihydroxyphenyl)-8-[(2S,3S,4S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
578.50
2.4
10
12
220.76
3
(2S,3R)-2-(3,4-dihydroxyphenyl)-8-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
578.50
2.4
10
12
220.76
3
(2R,3R)-2-(3,4-dihydroxyphenyl)-8-[(2S,3S,4S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
578.50
2.4
10
12
220.76
3
galloyl(-2)[galloyl(-3)]Hex-O-galloyl
636.50
0.9
11
18
310.66
10
1,2,3-tri-O-galloyl--d-glucose
636.50
0.9
11
18
310.66
10
(1R,3R,4S,5R)-1,3-dihydroxy-4,5-bis[(3,4,5-trihydroxybenzoyl)oxy]cyclohexane-1-carboxylic acid
496.40
0
9
14
251.74
7
3-O-Galloylhamamelitannin
636.50
0.1
11
18
310.66
11
Methyl 3,4,6-tri-O-galloyl-beta-D-glucopyranoside
650.50
0.9
10
18
299.66
11
galloyl(-2)[galloyl(-3)][galloyl(-4)][galloyl(-6)]a-Glc1Me
802.60
2.1
12
22
366.42
14
3,3'-Di-O-galloylprodelphinidin B5
914.70
4
16
22
394.74
9
3,3'-Digalloylprodelphinidin B2
914.70
4
16
22
394.74
9
galloyl(-6)Glc(a)-O-EtPh(4-OH)
452.40
0.2
7
11
186.37
8
6'-O-Galloylsalidroside
452.40
0.2
7
11
186.37
8
Diethyl 2-hydroxypentanedioate
204.22
0.4
1
5
72.83
8
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