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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
Petunidin 3-galactoside
479.40
8
11
200.83
5
Peonidin 3-Glucoside Chloride
463.40
7
10
180.6
5
Peonidin 3-monoglucoside
498.90
7
11
180.6
5
3-[[6-[5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)chromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid
551.40
9
14
255.2
8
delphinidin 3-O-(6''-O-malonyl)-beta-D-glucoside
551.40
9
14
255.2
8
3-[[6-[2-(3,4-Dihydroxy-5-methoxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid
565.50
8
14
244.2
9
3-[[6-[5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid
549.50
7
13
223.97
9
3-[[6-[5,7-Dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid
579.50
7
14
233.2
10
2-Cyclopentene-1-carbonitrile, 1-(I(2)-D-glucopyranosyloxy)-4-(sulfooxy)-, (1S,4R)-
367.33
-2.7
5
11
195.15
5
coumaroyl(3-OH)(-6)Glc(b)-O-EtPh(4-OH)
462.40
0.9
6
10
166.14
9
(8S,9S,12S,15S,18S,21S,27S)-21-[3-(diaminomethylideneamino)propyl]-12-(2-methylpropyl)-10,13,16,19,22,25-hexaoxo-9-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]-8,15-di(propan-2-yl)-2,11,14,17,20,23,26,30,32-nonazapentacyclo[16.14.2.13,7.129,32.04,33]hexatriaconta-1(33),3,5,7(36),29(35),30-hexaene-27-carboxylic acid
987.10
0.4
12
12
368.11
11
2,5,7,8-Tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-ol
428.70
10.6
1
2
29.46
12
Clerosterol 3-glucoside
574.80
7.7
4
6
99.38
9
(2R,3R,4S,5S,6R)-2-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylhept-6-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
574.80
7.7
4
6
99.38
9
(3R,3aR,4S,6E,10Z,11aR)-4-hydroxy-10-(hydroxymethyl)-3,6-dimethyl-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-2-one
266.33
0.7
2
4
66.76
1
(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-5,5,6-trimethylhept-6-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
412.70
9.3
1
1
20.23
5
Phenethyl rutinoside
430.40
-1.7
6
10
158.3
7
CID 14312560
386.40
-1.6
5
8
136.68
4
Citroside A
386.40
-1.6
5
8
136.68
4
4,10-Aromadendranediol
238.37
2.3
2
2
40.46
0
Monoglucuronylglycyrrhetinic acid
646.80
5.1
5
10
170.82
4
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-3,4-dihydroxy-5-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2-carboxylic acid
778.90
3.5
7
14
229.74
6
[(1S,3R,6S,8R,11S,12S,15R,16R)-15-[(2R,5S)-5,6-dimethylhept-6-en-2-yl]-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] acetate
482.80
11
0
2
26.3
7
[7,7,12,16-Tetramethyl-15-(5,5,6-trimethylhept-6-en-2-yl)-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] acetate
496.80
11.5
0
2
26.3
7
[(1S,3R,6S,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-5,5,6-trimethylhept-6-en-2-yl]-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] acetate
496.80
11.5
0
2
26.3
7
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