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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
(2S,3S,4S,5R,6S)-6-[2-(3,4-dimethoxyphenyl)-5,6-dihydroxy-7-methoxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
536.40
1.2
6
14
214.81
7
1,8-Bis[(4-hydroxyphenyl)methyl]-7-methoxy-3-phenyl-9,10-dihydrophenanthrene-2,4,5-triol
546.60
7.5
5
6
110.38
6
khayanolide E
558.60
0.6
2
11
158.8
6
[(2R,3R,4S,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3,5-dihydroxy-4-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
624.60
-0.5
9
15
245.29
11
8-[(2S,3S,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
564.50
-1.9
10
14
250.97
5
[5-(5-Benzoyloxy-3,6,7-trimethoxy-4-oxochromen-2-yl)-2-methoxyphenyl] benzoate
582.60
6.1
0
10
119.73
11
enniatin K1
625.80
6.1
0
9
139.83
6
(3S,4S)-4-[(2S)-3-carboxy-1-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-(3,4,5-trihydroxybenzoyl)oxyoxan-3-yl]oxy-1-oxopropan-2-yl]-5,6,7-trihydroxy-1-oxo-3,4-dihydroisochromene-3-carboxylic acid
670.50
-2
11
20
344.8
11
1-Iodohexadecane
352.34
9.6
0
0
0
14
[(1S,3R,6S,8R,11R,12S,13R,14R,15R,16S)-13-acetyloxy-16-(hydroxymethyl)-15-[(2S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12-trimethyl-6-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-14-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] acetate
722.90
3
5
12
181.44
9
1,3-Linolein-2-olein
881.40
21
0
6
78.9
51
[(2R,3S,4S,5R,6S)-6-[(2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
1096.90
-2.9
17
29
474.26
17
[(2S,3S,4R,5R)-4-hydroxy-2-[(2R,3R,4S,5R,6R)-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-5-(hydroxymethyl)-2-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxolan-3-yl] benzoate
1239.10
0.4
13
29
442.03
27
(2R,3R,8R,9S,10R,13S,14S,17Z)-3-[(2R,3R,4R,5R,6R)-5-[(2S,3R,4S,5R,6R)-3-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxy-10,13-dimethyl-17-[(6R)-6-methyl-3-oxo-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-ylidene]-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-16-one
1387.40
-7.2
20
34
549.5
22
(2R)-2-(hydroxymethyl)-3-methyl-2H-furan-5-one
128.13
-0.5
1
3
46.53
1
Dotriacontane
450.90
16.9
0
0
0
29
(2R,5R)-5-Hydroxypiperidine-2-carboxylic acid
145.16
-3
3
4
69.56
1
L-ribopyranose
150.13
-2.5
4
5
90.15
0
iso-Isopulegol
154.25
3
1
1
20.23
1
Octanol acetate
173.26
3.4
0
2
26.3
8
Ligudentatol
202.29
4.3
1
1
20.23
1
(1S,4S,6R)-1-Methyl-4-((Z)-6-methylhepta-2,5-dien-2-yl)-7-oxabicyclo[4.1.0]heptane
220.35
4.3
0
1
12.53
3
(1S,2R,4S,5S,7S)-2,6,6-trimethyl-8-methylidenetricyclo[5.3.1.01,5]undecan-4-ol
220.35
3.5
1
1
20.23
0
3-methoxy-6-methyl-9H-carbazole-1-carbaldehyde
239.27
3.2
1
2
42.09
2
Pyroglutamylglutamine
257.24
-2.2
4
5
138.59
6
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