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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
Nigroxanthin
566.90
11.2
2
2
40.46
10
Sanchinoside B1
638.90
4.2
7
9
160.07
7
Isoscoparin 2''-(6-(E)-feruloylglucoside) 4'-glucoside
962.90
-1.5
13
24
384.11
15
2,10-Bisaboladiene-1,4-diol
238.37
3
2
2
40.46
4
Jubanine C
665.80
5.4
3
6
120.08
9
Terniflorin
578.50
2.6
6
12
196.35
8
Menthoside
740.70
0.7
9
17
275.5
10
(1,16,17,18,21,22,23,34,35,39,39-Undecahydroxy-2,5,13,26,31-pentaoxo-6,9,12,27,30,40-hexaoxaoctacyclo[34.3.1.04,38.07,28.010,29.014,19.020,25.032,37]tetraconta-3,14,16,18,20,22,24,32,34,36-decaen-8-yl) 3,4,5-trihydroxybenzoate
952.60
-0.6
14
27
450.25
3
(-)-Epicatechin 6-C-glucoside
452.40
-1
9
11
200.53
3
(-)-Epicatechin 8-C-glucoside
452.40
-1
9
11
200.53
3
6-Glucopyranosylprocyanidin B2
740.70
-0.1
14
17
310.91
5
8-Galactopyranosyl-6-glucopyranosyl-4',5-dihydroxy-7-methoxyflavone
608.50
-1.9
10
15
260.2
6
[6-[2-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-6-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
770.70
0.3
10
18
295.73
11
Chrysoeriol 7-O-(6''-malonyl-glucoside)
548.40
0.6
6
14
222.65
9
2''-O-p-Coumaroylvitexin
578.50
2.5
7
12
207.35
7
2-(2,4-Dihydroxyphenyl)-5,7-dihydroxy-6-(3-hydroxy-3-methylbutyl)-4H-1-benzopyran-4-one
372.40
1.9
5
7
131.36
4
6''-Caffeoylhyperin
626.50
1.8
9
15
257.04
8
5,8-Epoxy-5,8-dihydro-b,b-carotene-3,3'-diol
584.90
10
2
3
49.69
9
Artenolide
528.60
-0.1
4
8
133.52
0
19-Hydroxydeacetylnomilinic acid 17-beta-D-glucopyranoside
686.70
-2.4
9
16
277.41
11
oryzalide B
320.40
2.8
2
4
66.76
0
Oryzalic acid A
350.40
3.1
2
5
87.13
4
[2-[(E)-hex-3-enoyl]oxy-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropyl] dodecanoate
694.80
2.2
7
15
231.13
25
(+)-1(9),10-Pacifigorgiadiene
204.35
4.9
0
0
0
1
(-)-1(6),10-Pacifigorgiadiene
204.35
4.4
0
0
0
1
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