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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
[(1R,2R,5S,9S,13S,14R,18S)-3-acetyloxy-14-[(R)-acetyloxy(furan-3-yl)methyl]-8-ethoxy-16-hydroxy-13,18-bis(2-methoxy-2-oxoethyl)-2,5,11,14-tetramethyl-7-methylperoxy-10,12,17-trioxahexacyclo[9.5.1.12,5.01,9.03,7.09,13]octadecan-6-yl] (2S,3R)-2,3-dimethyloxirane-2-carboxylate
864.90
1.1
1
19
232.78
19
[(1R,2R,5S,9S,13S,14R,18S)-3-acetyloxy-14-[(R)-acetyloxy(furan-3-yl)methyl]-8-ethoxy-16-hydroxy-13,18-bis(2-methoxy-2-oxoethyl)-2,5,11,14-tetramethyl-7-methylperoxy-10,12,17-trioxahexacyclo[9.5.1.12,5.01,9.03,7.09,13]octadecan-6-yl] (E)-2-methylbut-2-enoate
848.90
2
1
18
220.25
19
(3beta,4alpha,22beta)-22-[[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-23-hydroxyolean-12-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1->2)-O-beta-D-galactopyranosyl-(1->2)-beta-D-glucopyranosiduronic acid
1251.40
-0.3
16
27
433.05
14
methyl (1S,12S,19R)-12-ethyl-5-methoxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,9,13-pentaene-10-carboxylate
366.50
3.3
1
5
50.8
4
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(2E)-6-hydroxy-2,6-dimethylocta-2,7-dienoyl]oxyoxan-2-yl]methyl (4R)-4-(2-hydroxypropan-2-yl)cyclohexene-1-carboxylate
512.60
1
5
10
162.98
12
(2S)-4-methyl-2-[[2-[(1R,2S)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetyl]amino]pentanoic acid
323.40
2.7
2
4
83.47
9
(2S)-4-hydroxy-5-[[3-(hydroxymethyl)-2,5-dihydrofuran-2-yl]amino]-5-oxo-2-[[(2R,3S,4R,5R)-3,4,5-trihydroxy-2-(hydroxymethyl)oxan-2-yl]amino]pentanoic acid
422.38
-6.2
9
12
218.27
9
(2S)-4-hydroxy-5-[[(1Z)-2-(hydroxymethyl)buta-1,3-dienyl]amino]-5-oxo-2-[[(2R,3S,4R,5R)-3,4,5-trihydroxy-2-(hydroxymethyl)oxan-2-yl]amino]pentanoic acid
406.38
-5.1
9
11
209.04
10
[(1S,2S,4S,5R,7S,9S,10R,11S,12S,14S,15R,16R,19S)-10-acetyloxy-5-hydroxy-11,15-dimethyl-16-[(1S)-1-[(2R)-4-methyl-6-oxo-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2,3-dihydropyran-2-yl]ethyl]-3,8-dioxahexacyclo[10.7.0.02,4.05,11.07,9.015,19]nonadecan-14-yl] acetate
750.80
0.8
5
15
223.57
10
(3E)-3-(1,3-benzodioxol-5-ylmethylidene)-7-methoxychromen-4-one
310.30
3.1
0
5
53.99
2
4-O-Galloylalbiflorin
632.60
0.2
7
15
238.97
10
[(2R,3S,4R,5R,6S)-6-[[(1R,2S,3R,5R,6R,8S)-2-(benzoyloxymethyl)-6-hydroxy-8-methyl-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-3-yl]oxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl] 3,4,5-trihydroxybenzoate
632.60
-0.4
7
15
231.13
10
Javanicin
290.27
2
2
6
100.9
3
4-Isopropylsalicylaldehyde
164.20
2.7
1
2
37.3
2
Qui3Me(b1-4)Oli3Me(b)-O-Et
350.40
-0.2
2
8
95.84
6
Qui3Me(b1-4)Oli3Me(a)-O-Et
350.40
-0.2
2
8
95.84
6
[(2S)-1-acetyloxy-3-hydroxypropan-2-yl] (3R)-3-acetyloxyoctadecanoate
458.60
7
1
7
99.13
24
1-O-acetyl-2-O-[(3r,7r)-3,7-bis(acetyloxy)octadecanoyl]-sn-glycerol
516.70
5.9
1
9
125.43
26
1-O-acetyl-2-O-[(3r,9r)-3,9-bis(acetyloxy)eicosanoyl]-sn-glycerol
544.70
6.8
1
9
125.43
28
2-O-[(3r)-3-(acetyloxy)octadecanoyl]-glycerol
416.60
6.5
2
6
93.06
22
1-O-acetyl-2-O-[(3r,6s)-3-(acetyloxy)-6-hydroxyoctadecanoyl]-sn-glycerol
474.60
5.5
2
8
119.36
24
1-O-acetyl-2-O-[(3r,9r)-3-(acetyloxy)-9-hydroxyeicosanoyl]-sn-glycerol
502.70
6.2
2
8
119.36
26
2-O-[(3r,7r)-3,7-bis(acetyloxy) octadecanoyl]-glycerol
474.60
5.3
2
8
119.36
24
2-O-[(3r,9r)-3,9-bis(acetyloxy)eicosanoyl]-glycerol
502.70
6.2
2
8
119.36
26
2-O-[(3r,6s)-3-(acetyloxy)-6-hydroxy-octadecanoyl]-glycerol
432.60
4.9
3
7
113.29
22
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