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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
28-Galloylglucosylpomolate 3-arabinoside
919.10
3.2
10
17
282.59
9
Annuolide E
248.32
1.6
1
3
46.53
0
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin
509.50
-5.9
10
15
263.01
6
Helianyl octanoate
554.90
13.3
0
2
26.3
15
Goyaglycoside-c
662.90
5.1
4
9
127.07
9
Epicatechin-(4beta-6)-epicatechin
578.50
2.4
10
12
220.76
3
(3R,4S)-3-(3,4-dihydroxyphenyl)-7-[(2R,3S,4S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-1H-isochromene-4,6,8-triol
578.50
1.6
10
12
220.76
3
Epicatechin(4b->6)catechin
578.50
1.6
10
12
220.76
3
Catechin(4a->6) epicatechin
578.50
1.6
10
12
220.76
3
Gallocatechin-(4alpha->8)-catechin-(4alpha->8)-catechin
882.80
3
16
19
351.37
5
Catechin-(4alpha->8)-gallocatechin-(4alpha->8)-catechin
882.80
3
16
19
351.37
5
3b-Pregnadienolone 3-[rhamnosyl-(1->4)-rhamnosyl-(1->4)-rhamnosyl-(1->4)-glucoside]
915.00
-1.5
10
19
293.21
10
Diellagilactone
602.40
1.9
8
16
282.68
1
12-Methoxy-8,11,13-abietatrien-20,11-olide
328.40
5.3
0
3
35.53
2
2-(Methylthio)ethyl glucosinolate
393.50
-1.2
5
12
225.09
8
3-Methylbutyl glucosinolate
389.40
-0.2
5
11
199.79
8
2-Hydroxypentyl glucosinolate
405.40
-1.2
6
12
220.02
9
Pentyl glucosinolate
389.40
0.1
5
11
199.79
9
4-Phenylbutyl glucosinolate
451.50
1
5
11
199.79
10
5-Hexenyl glucosinolate
401.50
0.1
5
11
199.79
10
1-Thio-b-D-glucopyranose 1-[3-hydroxy-3-methyl-N-(sulfooxy)butanimidate]
391.40
-1.9
6
12
220.02
7
4-Methylpentyl glucosinolate
403.50
0.4
5
11
199.79
9
1-Thio-b-D-glucoside 1-[3-methyl-N-(sulfooxy)butanimidate], 9CI
375.40
-0.5
5
11
199.79
7
3-Phenylpropyl glucosinolate
437.50
0.4
5
11
199.79
9
Hexyl glucosinolate
403.50
0.6
5
11
199.79
10
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