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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
Stigmasta-4,6-dien-3-one
410.70
9.1
0
1
17.07
6
(8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
410.70
9.1
0
1
17.07
6
Forsythoside H
624.60
-0.5
9
15
245.29
11
(3S,4S,5R)-4-[(2R,3R)-2,3-dihydroxy-3-[(2R,3S,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]butyl]-3,5-dimethyloxolan-2-one
520.70
1
5
8
144.52
4
13-cis-Crocin
977.00
-2.5
14
24
391.2
20
Deacylgymnemic acid
682.80
2.1
9
12
217.6
5
(1S,2R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 4-hydroxy-3-methoxybenzoate
304.40
4.4
1
4
55.76
4
galloyl(-2)[galloyl(-3)][galloyl(-4)][galloyl(-6)]Ido(b)-O-galloyl
940.70
3.6
15
26
444.18
16
8-(3-Heptyloxiran-2-yl)oct-1-en-4,6-diyn-3-yl acetate
302.40
5.1
0
3
38.83
11
Methyl 14-ethyl-14-hydroxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,9-tetraene-10-carboxylate
354.40
2.5
2
5
61.8
3
[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6a,6b,9,9,12a-pentamethyl-2-methylidene-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
897.10
1.3
10
17
274.75
9
7-Hydroxy-5-(3-methylbut-2-enyl)chromen-2-one
230.26
3.5
1
3
50.44
2
7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-hydroxychromen-4-one
594.50
-0.6
9
15
249.2
6
(2R,3R,4S,5S,6R)-2-[[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-17-[(E,2S)-2-[(2S,3R,4S,5S,6R)-6-[[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-6-methylhept-4-en-2-yl]-12-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
917.10
2.3
11
17
277.91
13
4-(Rhamnosyloxy)phenylacetonitrile
279.29
0.3
3
6
102.94
3
Acetic propionic anhydride
116.11
0.4
0
3
43.37
3
Homodidrovaltrate
438.50
2.8
0
8
100.66
12
3,6-Ditigloyloxytropan-7-ol
337.40
2.3
1
6
76.07
6
Quercetin 3-(2''-glucosylgalactoside) 7-glucoside
788.70
-3
14
22
368.81
10
3-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
788.70
-3
14
22
368.81
10
Quercetin-3-O-sophoroside-7-O-glucoside
788.70
-3
14
22
368.81
10
Kaempferol 3-sophoroside 7-glucoside
772.70
-2.7
13
21
348.58
10
Kaempferol 3-sophoroside-7-glucoside
772.70
-2.7
13
21
348.58
10
3-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
772.70
-2.7
13
21
348.58
10
Schottenol 3-glucoside
576.80
7.5
4
6
99.38
9
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