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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
[(1R,2R,4R,6S,8S,9S,10S,11S,13S)-2-acetyloxy-8,11-dihydroxy-5,5,9-trimethyl-14-methylidene-3,15-dioxo-6-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate
448.50
1.2
2
8
127.2
4
(2S,4R)-4-(beta-D-Glucopyranosyloxy)-2-pentanol
266.29
-1.7
5
7
119.61
5
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2R,4S)-4-hydroxypentan-2-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triol
428.40
-3.7
8
12
198.76
8
(2R,3R,4S,5S,6R)-2-[(2R,4S)-4-hydroxypentan-2-yl]oxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol
398.40
-3.6
7
11
178.53
7
(4R)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentan-2-one
264.27
-2
4
7
116.45
5
Glc(b1-6)Glc(b1-4)1,3,5-deoxy-keto-D-groPen2ulo
426.40
-4.1
7
12
195.6
8
(2S,3R,4S,5S,6R)-2-[[(3R)-3-(2-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
434.40
1.1
5
9
138.07
5
Licorice glycoside A
726.70
1.9
8
16
251.36
14
Licorice glycoside B
696.60
1.9
8
15
242.13
13
[(3S,4R,5S)-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[4-[(2R)-7-hydroxy-4-oxo-2,3-dihydrochromen-2-yl]phenoxy]oxan-3-yl]oxy-3,4-dihydroxyoxolan-3-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
726.70
0.9
7
16
240.36
12
[(3S,4R,5S)-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[4-[(2R)-7-hydroxy-4-oxo-2,3-dihydrochromen-2-yl]phenoxy]oxan-3-yl]oxy-3,4-dihydroxyoxolan-3-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
696.60
0.9
7
15
231.13
11
Licorice glycoside C2
726.70
0.9
7
16
240.36
12
[(3S,4R,5S)-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[4-[(2S)-7-hydroxy-4-oxo-2,3-dihydrochromen-2-yl]phenoxy]oxan-3-yl]oxy-3,4-dihydroxyoxolan-3-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
696.60
0.9
7
15
231.13
11
[(3S,4R,5S)-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[4-[(2S)-7-hydroxy-4-oxo-2,3-dihydrochromen-2-yl]phenoxy]oxan-3-yl]oxy-3,4-dihydroxyoxolan-3-yl]methyl 1H-indole-3-carboxylate
693.60
1
7
14
226.69
10
Lucidin 3-O-glucoside
432.40
0
6
10
173.98
4
6-[4-(5,7-Dihydroxy-4-oxo-2,3-dihydrochromen-2-yl)phenoxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
542.50
4.7
5
10
162.98
4
[(1S,4S,7S,8R,9R,10S,11R,14R)-8-acetyloxy-7-(furan-3-yl)-9-methyl-5,15-dioxo-6,16-dioxatetracyclo[8.7.0.01,14.04,9]heptadec-12-en-11-yl] acetate
458.50
1.9
0
9
118.34
5
(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aR,9R,12aS,14aR,14bR)-9-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-4-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxyoxane-2-carboxylic acid
1075.20
0.8
13
22
353.9
11
(2Z,6Z,10Z,14E,19R,23R)-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14-tetraen-1-ol
500.90
13.8
1
1
20.23
22
(2Z,6Z,10Z,14Z,18E,23R,27R)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18-pentaen-1-ol
569.00
15.6
1
1
20.23
25
[(1S,4aR,5R,7aS)-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-5-yl] 4-hydroxybenzoate
466.40
-1.1
6
11
175.37
7
[(1S,2R,3R,4R,5S,6S,8R,9R,10R,13S,16S,17R,18R)-8-acetyloxy-11-ethyl-5-hydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] 4-methoxybenzoate
643.80
2.2
1
11
122.22
12
(2R,3S,4S,5R,6R)-5-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)-6-[(3R)-3-hydroxyoctoxy]oxane-3,4-diol
440.50
-1.2
7
11
178.53
12
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(3R)-3-hydroxyoctoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol
470.50
-2.1
8
12
198.76
12
Glycyroside
562.50
-0.2
6
13
197.74
8
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