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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
Olivil 4'-O-glucoside
538.50
0.1
7
12
187.76
9
5-Methoxy-6'',6''-dimethyl-3',4'-methylenedioxypyrano[2'',3'':7,8]flavone
378.40
3.9
0
6
67.13
2
Ovalichalcone
352.40
5.8
1
4
55.76
7
5,7-Dimethoxy-8-(3-methylbut-2-en-1-yl)-2-phenylchroman-4-one
352.40
4.8
0
4
44.76
5
Karanjachromene
334.40
4.3
0
4
48.67
2
Pongachromene
378.40
4.1
0
6
67.13
2
(R)-Apiumetin glucoside
406.40
1.1
4
9
138.82
4
9-Hydroxy-4-methoxypsoralen 9-glucoside
394.30
0.1
4
10
151.96
4
5-Methoxy-8-I(2)-D-glucopyranosyloxypsoralen
394.30
0.1
4
10
151.96
4
BR-Xanthone B
274.22
1.9
3
6
100.13
1
1,3-o-Di-p-coumaroylglycerol
384.40
2.8
3
7
113.29
10
2-(3,4-Dihydroxyphenyl)-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromenylium-5,6,7-triol
611.50
11
15
270.75
6
Cyanidin 3-rutinoside (chloride);Cyanidin 3-O-rutinoside (chloride);Sambucin (chloride)
631.00
10
15
250.52
6
2-[[6-[5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)chromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol
611.50
11
15
270.75
6
(8a(2)R)-Neochrome
600.90
8.4
3
4
69.92
8
[(2R,3R,4R,5R,6R)-4-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
756.70
-2
11
19
304.21
13
[(2R,3R,4R,5R,6R)-4-[(2S,3R,4R,5R,6S)-4,5-Dihydroxy-6-methyl-3-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
756.70
-2
11
19
304.21
13
2,6-di-O-galloyl-beta-glucose
484.40
-0.8
9
14
243.9
7
6-Methoxytricin
360.30
2.6
3
8
118.59
4
5,2'-Dihydroxy-7,8-dimethoxyisoflavone
314.29
3
2
6
89.13
3
(E)-6-(6-hydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl)-2-methylhept-2-enoic acid
456.70
8.5
2
3
57.53
5
Isomangiferolic acid
456.70
8.5
2
3
57.53
5
(E)-2-Methyl-6-(7,7,12,16-tetramethyl-6-oxo-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl)hept-2-enoic acid
454.70
8.2
1
3
54.37
5
Mangiferonic acid
454.70
8.2
1
3
54.37
5
(E,6R)-2-methyl-6-[(1S,3R,8S,11S,12S,15R,16R)-7,7,12,16-tetramethyl-6-oxo-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]hept-2-enoic acid
454.70
8.2
1
3
54.37
5
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