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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
Moracin K
324.30
3.8
3
5
83.06
1
Moracin L
324.30
3.5
3
5
83.06
1
methyl (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-[(2S)-5-hydroxy-7,8-dimethoxy-4-oxo-2,3-dihydrochromen-2-yl]phenoxy]oxane-2-carboxylate
506.50
1.5
4
12
170.44
7
(2S)-5-hydroxy-2-[2-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-7,8-dimethoxy-2,3-dihydrochromen-4-one
494.40
0.5
6
12
184.6
6
I(2)-D-Glucopyranosiduronic acid, (2S)-3,4-dihydro-5-hydroxy-8-methoxy-2-(3-methoxyphenyl)-4-oxo-2H-1-benzopyran-7-yl, methyl ester
506.50
1.5
4
12
170.44
7
(2S)-5-hydroxy-8-methoxy-2-(2-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
478.40
0.9
5
11
164.37
6
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(2S)-5-hydroxy-2-(2-hydroxyphenyl)-8-methoxy-4-oxo-2,3-dihydrochromen-7-yl]oxy]oxane-2-carboxylic acid
478.40
0.8
6
12
192.44
5
methyl (2S,3S,4S,5R,6S)-6-(5,7-dihydroxy-4-oxo-2-phenylchromen-8-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylate
460.40
1.4
5
11
176.12
5
(2S)-5-hydroxy-6,7,8-trimethoxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
360.40
3
1
7
83.45
5
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-hydroxy-2-[(2S)-5-hydroxy-7,8-dimethoxy-4-oxo-2,3-dihydrochromen-2-yl]phenoxy]oxan-2-yl]methyl acetate
536.50
0.6
5
13
190.67
8
[(2S,3R,4S,5R,6R)-3,5-dihydroxy-2-[4-hydroxy-2-[(2S)-5-hydroxy-7,8-dimethoxy-4-oxo-2,3-dihydrochromen-2-yl]phenoxy]-6-(hydroxymethyl)oxan-4-yl] 4-hydroxybenzoate
614.50
2.4
6
14
210.9
9
3-[(3S,5R,8R,9S,10R,13R,14S,17R)-3,14-dihydroxy-10-(hydroxymethyl)-13-methyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
390.50
1.4
3
5
86.99
2
(2R,3R,4S,5S,6R)-2-[[(1R,2S,5S,7R,8S,9R)-7-hydroxy-5-(2-hydroxypropan-2-yl)-2,8-dimethyl-9-tricyclo[4.4.0.02,8]decanyl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
416.50
0
6
8
139.84
4
[(1S,2S,6R,10S,11R,13S,14R,15R)-14-acetyloxy-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-13-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] 2-methylpropanoate
476.60
1.3
3
8
130.36
6
[(1S,2S,6R,10S,11R,13S,14R,15R)-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-13-(2-methylbutanoyloxy)-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] benzoate
552.70
3.4
3
8
130.36
8
[(1S,2S,6R,10S,11R,13S,14R,15R)-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-14-[(E)-2-methylbut-2-enoyl]oxy-5,9-dioxo-13-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,7-dienyl] 2-methylbutanoate
544.60
3
3
9
147.43
8
[(1R,2R,6R,10S,11R,13S,14R,15R)-1,14-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-13-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] 2-methylbutanoate
432.50
1.9
3
6
104.06
5
[(1S,2S,6R,10S,11R,13S,14R,15R)-14-acetyloxy-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5,9-dioxo-13-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,7-dienyl] 2-methylbutanoate
504.60
1.8
3
9
147.43
7
(E)-1-[(2R)-2-(3,4-dimethoxyphenyl)-1-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]cyclohex-3-en-1-yl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one
570.60
6
2
8
111.52
11
(E)-3-(4-hydroxy-3-methoxyphenyl)-1-[(2R)-1-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-2-(2,4,5-trimethoxyphenyl)cyclohex-3-en-1-yl]prop-2-en-1-one
600.70
5.9
2
9
120.75
12
2-[(1S,5S,6S)-5,6-bis(3,4-dimethoxyphenyl)cyclohex-3-en-1-yl]ethanol
398.50
4.4
1
5
57.15
8
4,12-Dihydroxy-3-methoxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one
282.25
1.6
2
5
84.06
1
Isocephalosporin P1
574.70
5.1
3
8
130.36
8
[2,4-dihydroxy-3,5-dimethyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-phenylmethanone
420.40
1.7
6
9
156.91
5
coumaroyl(3-OH)(-6)Glc(b)-O-Ph(4-Ac)
460.40
0.8
5
10
162.98
8
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