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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,4S,6S)-6-[(2R,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
462.50
-2.3
6
11
175.37
6
(3R,6S)-3-[(5R,9R,10R,13S,14S,16S,17S)-16-hydroxy-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-6-prop-1-en-2-yloxan-2-one
468.70
5.9
1
4
63.6
2
Methyl 4-O-galloylchlorogenate
520.40
1.1
7
13
220.51
9
3-O-Acetyl-20-hydroxyecdysone
522.70
1
5
8
144.52
7
[(4R,4aS,5R,6aR,11aS,11bR)-5-benzoyloxy-4a-hydroxy-4,11b-dimethyl-7-methylidene-1,2,3,5,6,6a,11,11a-octahydronaphtho[2,1-f][1]benzofuran-4-yl]methyl benzoate
540.60
6.6
1
6
85.97
7
(2S,3R,4S,5R,6R)-2-[[(1S,1aR,4R,4aS,7R,7aS,7bS)-1,4,7-trimethyl-1-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-4-yl]oxy]-6-methyloxane-3,4,5-triol
546.60
-0.2
7
11
178.53
6
[(1S,2R,4S,6S,7S,8R,9S,10R,13S)-12-acetyl-2,7-diacetyloxy-6-hydroxy-5,5,9-trimethyl-15,16-dioxatetracyclo[11.2.1.01,10.04,9]hexadec-11-en-8-yl] benzoate
556.60
2.5
1
10
134.66
8
(2S,3R,4S,5R)-2-[(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S,18S,19S)-16-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-19-yl]oxyoxane-3,4,5-triol
564.70
3.6
4
8
117.84
2
2-O-deacetylorthosiphol U
572.60
3.1
3
10
156.66
8
(2R)-2-[(1R)-1-hydroxy-1-[(1S,3R,8S,9S,10R,13S,14S,17S)-1-hydroxy-10,13-dimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl]-5-(hydroxymethyl)-4-methyl-2,3-dihydropyran-6-one
636.80
1.7
7
11
186.37
6
Cimiracemoside J
660.80
4.2
4
10
144.14
5
Cimiracemoside L
704.90
4.8
3
11
161.35
10
Siphonol A
734.80
4.6
2
13
189.03
14
3-[4-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyphenyl]-5-hydroxy-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
740.70
-2
11
19
308.12
9
[(2S,3R,4R,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4-hydroxy-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy-2-methyloxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
784.70
5.8
6
16
241.11
13
delta-Valerolactone
100.12
-0.3
0
2
26.3
0
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-5-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
1017.20
-0.7
11
21
314.83
10
Massadine
828.10
0.2
10
7
240.29
6
Hbslywhwoubnad-uzwyezlysa-
1251.10
-2.1
14
31
471.49
26
(2R)-2-hydroxy(313C)butanedioic acid
135.08
-1.3
3
5
94.83
3
Limonene oxide, (-)-
152.23
2.5
0
1
12.53
1
Geraniol hydrate
172.26
1.6
2
2
40.46
5
2-methoxy-3-phenyl-2H-furan-5-one
190.19
1.4
0
3
35.53
2
(2E,4E)-2,7-Dimethyl-2,4-octadienedioic acid
198.22
1.6
2
4
74.6
5
14-Heptacosanone
394.70
12.4
0
1
17.07
24
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