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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
[(1E,3S,4R,6S,9R,11S,12S,14S)-3,12,14-triacetyloxy-9-hydroxy-7,11,16,16-tetramethyl-10-oxo-6-tricyclo[9.3.1.14,8]hexadeca-1,7-dienyl] acetate
534.60
1.3
1
10
142.5
8
[(2R,4S,5S,7S,8E,10S,11R,13S)-10-acetyloxy-2,7,13-trihydroxy-4,14,15,15-tetramethyl-3-oxo-5-tricyclo[9.3.1.14,8]hexadeca-1(14),8-dienyl] acetate
450.50
0.1
3
8
130.36
4
I(2)-D-Glucopyranoside, (2I+/-,3I(2),5I+/-,25S)-26-(I(2)-D-glucopyranosyloxy)-2-hydroxyfurost-20(22)-en-3-yl 2-O-(6-deoxy-I+/--L-mannopyranosyl)-
903.10
0.5
11
18
287.14
12
Tuberoside B(Allium)
1049.20
-1.2
13
22
346.06
14
3-[(3aR,8bS)-1-methylidene-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3a,8b-dihydrofuro[2,3-b][1]benzofuran-7-yl]propanoic acid
424.40
-0.7
5
10
155.14
6
1,3,6,7-tetrahydroxy-2-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]xanthen-9-one
392.30
-0.3
7
10
181.05
1
(2S,6S)-2,16-dimethoxy-5,5-dimethyl-12-oxa-10-azatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),10,13,15-tetraene-3,8-dione
329.30
2
0
6
78.63
2
[(1S,2S,3'S,4S,6S,7R,8R,9S,12S,13R,16S)-7-hydroxy-2',2',3',7,9,13-hexamethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,5'-oxolane]-16-yl] acetate
486.70
5.3
1
5
64.99
2
[(1S,2S,3'S,4S,6R,7R,8R,9S,12S,13R,16S)-7-hydroxy-2',2',3',7,9,13-hexamethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,5'-oxolane]-16-yl] acetate
486.70
5.3
1
5
64.99
2
(1S,2S,3'S,4S,6R,7R,8R,9S,12S,13R,16S)-2',2',3',7,9,13-hexamethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,5'-oxolane]-7,16-diol
444.60
4.7
2
4
58.92
0
3-Hydroxy-3-hydroxymethyl-9-methyl-6-methyleneperhydroazuleno[4,5-b]furan-2,8-dione
280.32
0.5
2
5
83.83
1
[(2R,3R,4S,5S)-3-[(2S,3R,4S,5S,6S)-4-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-5-[(2S,3R,4S,5R)-3,5-dihydroxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl] (4aR,5R,6aR,6aS,6bR,8aR,9R,10R,11S,12aR,14bS)-5,11-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-carboxylate
1355.50
-3.6
18
31
491.97
16
[(2R,3R,4S,5S)-3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4S,5R)-3,5-dihydroxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl] (4aR,5R,6aR,6aS,6bR,8aR,9R,10R,11S,12aR,14bS)-5,11-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-carboxylate
1223.30
-2.4
16
27
433.05
13
Delphinidin 3,5-diglucoside
627.50
12
16
290.98
7
(2S,3S)-2-methyl-3-(2,4,5-trimethoxyphenyl)oxirane
224.25
1.7
0
4
40.22
4
(1S,2S,4S,10R,11R,15S)-4-(furan-3-yl)-2,10-dimethyl-11-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,13-dioxatetracyclo[8.6.0.02,7.011,15]hexadec-7-ene-6,12-dione
520.50
0.6
4
11
165.12
4
Oblongifolin C
670.90
12.2
3
6
111.9
13
2-Methyl-4-propyl-1,3-oxathiane
160.28
2.7
0
2
34.53
2
3-Hydroxy-9-(4-hydroxyphenyl)-2,2-dimethyl-6-(3-methylbut-2-enyl)-3,4,8,9-tetrahydropyrano[2,3-f]chromen-10-one
408.50
4.6
2
5
75.99
3
3-oxo-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-(5-hydroxy-7-methoxy-4-oxochromen-3-yl)phenoxy]oxan-2-yl]methoxy]propanoic acid
532.40
0.9
5
13
202.42
9
(2R)-2-[(1R)-1-[(8R,9S,10R,13S,14R,17S)-14,17-dihydroxy-10,13-dimethyl-1-oxo-2,7,8,9,11,12,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-1-hydroxyethyl]-5-(hydroxymethyl)-4-methyl-2,3-dihydropyran-6-one
486.60
1.6
4
7
124.29
3
(2R)-2-[(1R)-1-[(8R,9S,10R,13S,14R,17R)-14,17-dihydroxy-10,13-dimethyl-1-oxo-2,3,4,7,8,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-17-yl]ethyl]-5-(hydroxymethyl)-4-methyl-2,3-dihydropyran-6-one
472.60
2.7
3
6
104.06
3
3,6-Dihydroxy-1,7-dimethoxyxanthone
288.25
2.2
2
6
89.13
2
5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6-[(2R,3R,5S,6S)-5-hydroxy-6-methyl-4-oxo-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]chromen-4-one
590.50
0
7
14
225.81
5
dimethyl (6R,9R)-10-[2-(3-ethylpiperidin-1-yl)ethyl]-6-[3-[2-(3-ethylpiperidin-1-yl)ethyl]-1H-indol-2-yl]-8,9-dihydro-7H-pyrido[1,2-a]indole-6,9-dicarboxylate
680.90
7.9
1
6
79.8
13
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