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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
3,3',5,5'-Tetrahydroxy-6,7-methyleneoxy-4'-methoxyflavone 3-glucuronide
536.40
0.7
7
15
235.04
5
Isovitexin 2''-(6'''-p-coumaroylglucoside)
740.70
0.4
10
17
286.5
10
Flavone base + 3O, C-Hex-FeruloylHex
770.70
0.3
10
18
295.73
11
Isovitexin 2''-O-[4-hydroxy-(E)-cinnamoyl-(->6)-beta-D-glucopyranosyl] 4'-O-beta-D-glucopyranoside
902.80
-1.4
13
22
365.65
13
Isovitexin 2''-(6'''-feruloylglucoside) 4'-glucoside
932.80
-1.5
13
23
374.88
14
1,28-Dicaffeoyloctacosanediol
751.00
16.9
4
8
133.52
35
1,28-Octacosanediol diferulate
779.10
16.8
2
8
111.52
37
Peonidin 3-O-arabinoside
433.40
6
9
160.37
5
Peonidin 3-rhamnoside 5-glucoside
609.60
9
14
239.52
7
Peonidin 3-(6''-p-coumaroyl-glucoside) 5-glucoside
769.70
9
16
265.82
12
2-[2-(3,4-Dihydroxy-5-methoxyphenyl)-7-hydroxychromenylium-3-yl]oxyoxane-3,4,5-triol
433.40
6
9
160.37
4
Petanin
933.80
13
22
365.2
14
Petunidin 3-rhamnoside-5-glucoside
625.60
10
15
259.75
7
Isolinderenolide
334.50
6.9
1
3
46.53
13
3,6:3',6'-Diepoxy-5,5',6,6'-tetrahydro-b,b-carotene-5,5'-diol
600.90
9.8
2
4
58.92
10
3-(2,4-Dihydroxyphenyl)-5,7-dihydroxy-8-(4-hydroxy-3-methylbutyl)-2,3-dihydrochromen-4-one
374.40
2.9
5
7
127.45
5
Setarin
202.21
2.5
0
3
39.44
2
(E)-2-methyl-6-(6,13,18-trihydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl)hept-2-enoic acid
488.70
5.6
4
5
97.99
5
6-O-Oleuropeoylsucrose
508.50
-2.3
8
13
215.83
9
Calamin
520.60
1.6
3
10
156.03
6
methyl (3S)-3-[(1R,2S,6S,10S,11S,14S)-11-(furan-3-yl)-3-hydroxy-2,6,10-trimethyl-4,13-dioxo-12,15-dioxatetracyclo[8.5.0.01,14.02,7]pentadecan-6-yl]-3-hydroxypropanoate
462.50
1.1
2
9
135.8
5
(2Z,6E,9Z)-2,6,10-trimethyldodeca-2,6,9,11-tetraenal
218.33
4.8
0
1
17.07
7
Rhamnazin 3-sophoroside
654.60
-0.6
9
17
267.66
9
2-[2-[4,5-Dihydroxy-2-(hydroxymethyl)-6-[[6-hydroxy-7,9,13-trimethyl-6-[3-methyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-16-yl]oxy]oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
1065.20
-1.8
14
23
366.29
15
4,5-Dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-13-ene-9-carboxylic acid
346.40
0.4
3
6
104.06
1
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