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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
Chrysoeriol 7-O-(6''-malonyl-apiosyl-glucoside)
680.60
-0.7
8
18
281.57
12
Quercetin 3-O-xylosyl-glucuronide
610.50
-0.6
10
17
286.5
7
Quercetin 3-O-glucosyl-xyloside
596.50
-1.2
10
16
269.43
7
Quercetin 3-O-xylosyl-rutinoside
742.60
-2.3
12
20
328.35
9
Kaempferol 3-O-(2''-rhamnosyl-6''-acetyl-galactoside) 7-O-rhamnoside
784.70
-1.6
11
21
334.42
10
Kaempferol 3-O-rhamnosyl-rhamnosyl-glucoside
740.70
-2
11
19
308.12
8
2,5-di-S-Glutathionyl caftaric acid
922.80
-8.9
15
25
529.83
29
5-8'-Dehydrodiferulic acid
386.40
2.7
4
8
133.52
7
8-4'-Dehydrodiferulic acid
386.40
3.2
3
8
122.52
8
[(3S,5S,10S,13R,17R)-17-[(2R)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
578.90
11.9
1
4
55.76
10
24-Methyllathosterol ferulate
576.80
10.8
1
4
55.76
10
Schottenol 3-ferulate
590.90
11.4
1
4
55.76
11
24-Methylenecholestanol ferulate
576.80
11.7
1
4
55.76
10
7-Oxomatairesinol
372.40
2.9
2
7
102.29
6
4-[(2R,3S)-2-ethyl-3-[hydroxy-(4-hydroxy-3-methoxyphenyl)methyl]pentyl]-2-methoxyphenol
374.50
4.7
3
5
79.15
9
Delphinidin 3-[6''-(4'''-p-coumaroylrhamnosyl)glucoside] 5-glucoside
919.80
14
22
376.2
13
2-Deoxy-28-homocastasterone
462.70
6
3
4
77.76
6
3-epi-2-Deoxy-25-methyldolichosterone
460.70
6.1
3
4
77.76
5
3-epi-6-Deoxocastasterone
450.70
6.3
4
4
80.92
5
6-Deoxo-28-homo-dolichosterone
462.70
6.4
4
4
80.92
5
6-Deoxo-25-methyldolichosterone
462.70
6.7
4
4
80.92
5
23-O-beta-D-Glucopyranosyl-25-methyldolichosterone
638.80
3.5
7
10
177.14
8
23-O-beta-D-Glucopyranosyl-2-epi-25-methyldolichosterone
638.80
3.5
7
10
177.14
8
(+)-Pinoresinolin
374.40
2.6
2
7
86.61
5
Isoketocamphoric acid
216.23
0.1
2
5
91.67
6
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