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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
[33-(5-Acetyloxy-3,4-dihydroxy-6-methyloxan-2-yl)oxy-6,25,26,32-tetrahydroxy-5,24,31-trimethyl-10-oxo-20-propyl-2,4,9,21,23,28,30-heptaoxatetracyclo[27.3.1.03,8.022,27]tritriacontan-7-yl] 3-hydroxy-2-methylbutanoate
953.10
1.9
7
21
294.35
10
[33-(5-Acetyloxy-3,4-dihydroxy-6-methyloxan-2-yl)oxy-4,5,24,31,32-pentahydroxy-6,25-dimethyl-20-oxo-10-propyl-2,7,9,21,26,28,34-heptaoxatetracyclo[28.3.1.03,8.022,27]tetratriacontan-23-yl] 3-hydroxy-2-methylbutanoate
969.10
0.9
8
22
314.58
10
[6-[6-[[10-Hexyl-4,5,23-trihydroxy-24-(hydroxymethyl)-6-methyl-20-oxo-2,7,9,21,25-pentaoxatricyclo[20.3.1.03,8]hexacosan-26-yl]oxy]-4-hydroxy-2-methyl-5-(2-methylbut-2-enoyloxy)oxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl] 2-methylbut-2-enoate
1033.20
5.2
7
21
294.35
16
[6-[6-[[10-Butyl-4,5,23-trihydroxy-24-(hydroxymethyl)-6-methyl-20-oxo-2,7,9,21,25-pentaoxatricyclo[20.3.1.03,8]hexacosan-26-yl]oxy]-4-hydroxy-2-methyl-5-(2-methylbut-2-enoyloxy)oxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl] 2-methylbut-2-enoate
1005.10
4.1
7
21
294.35
14
11-[3-[4,5-Dihydroxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxytetradecanoic acid
844.90
-1.3
11
20
313.44
21
11-[3-[3-[3,4-Dihydroxy-6-methyl-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxypentadecanoic acid
859.00
-0.2
11
20
313.44
22
[(2S,3R,4R,5R,6S)-2-[(2S,3S,4R,5R,6S)-3-[(2S,3R,4S,5S,6S)-3,4-dihydroxy-6-methyl-5-(2-methylpropanoyloxy)oxan-2-yl]oxy-5-dodecanoyloxy-2-methyl-6-[[(1R,3S,5S,6R,7R,8R,20S,22R,24R,25R,26S)-7,25,26-trihydroxy-5,24-dimethyl-10-oxo-20-pentyl-2,4,9,21,23-pentaoxatricyclo[20.4.0.03,8]hexacosan-6-yl]oxy]oxan-4-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl] (11S)-11-[(2R,3R,4S,5R,6R)-3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4R,5S,6S)-5-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-(2-methylpropanoyloxy)oxan-2-yl]oxy-3-dodecanoyloxy-6-methyl-4-[(1R,2R,3R,4S,5R)-2,3,4-trihydroxy-5-methylcyclohexyl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxyhexadecanoate
2473.00
16.5
16
47
656.85
66
[(2S,3R,4S,5R,6S)-6-[(2S,3S,4R,5R,6S)-3-[(2S,3R,4S,5S,6S)-3,4-dihydroxy-6-methyl-5-[(2R)-2-methylbutanoyl]oxyoxan-2-yl]oxy-5-dodecanoyloxy-2-methyl-6-[[(1S,3R,4S,5R,6R,8R,10S,22S,23S,24S,26R)-4,5,26-trihydroxy-6,24-dimethyl-20-oxo-10-pentyl-2,7,9,21,25-pentaoxatricyclo[20.3.1.03,8]hexacosan-23-yl]oxy]oxan-4-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl] (11S)-11-[(2R,3R,4S,5R,6R)-3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4R,5S,6S)-5-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2R)-2-methylbutanoyl]oxyoxan-2-yl]oxy-3-dodecanoyloxy-6-methyl-4-[(1R,2R,3R,4S,5R)-2,3,4-trihydroxy-5-methylcyclohexyl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxyhexadecanoate
2501.10
17.2
16
47
656.85
68
[(2S,3R,4R,5R,6S)-2-[(2S,3S,4R,5R,6S)-3-[(2S,3R,4S,5S,6S)-3,4-dihydroxy-6-methyl-5-(2-methylbutanoyloxy)oxan-2-yl]oxy-5-dodecanoyloxy-2-methyl-6-[[(1R,3S,5S,6R,7R,8R,20S,22R,24R,25R,26S)-7,25,26-trihydroxy-5,24-dimethyl-10-oxo-20-pentyl-2,4,9,21,23-pentaoxatricyclo[20.4.0.03,8]hexacosan-6-yl]oxy]oxan-4-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl] (11S)-11-[(2R,3R,4S,5R,6R)-3-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-5-[(2S,3R,4S,5S,6S)-3-hydroxy-5-[(2S,3R,4S,5S,6S)-3-hydroxy-6-methyl-5-(2-methylbutanoyloxy)-4-[(E)-3-phenylprop-2-enoyl]oxyoxan-2-yl]oxy-6-methyl-4-[(1R,2R,3R,4S,5R)-2,3,4-trihydroxy-5-methylcyclohexyl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxyhexadecanoate
2448.90
14.2
16
47
656.85
60
(3R,11R)-11-[(2R,3R,4S,5S,6R)-3-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4S,5S,6S)-4-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-6-methyl-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxy-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]heptadecanoic acid
1341.40
-3.8
19
33
521.43
30
[(2S)-1-[(1S,2S)-2-[(S)-hydroxy-[(2R)-6-oxo-2,3-dihydropyran-2-yl]methyl]cyclopropyl]-1-oxopropan-2-yl] (Z)-3-(3-hydroxyphenyl)prop-2-enoate
386.40
2.3
2
7
110.13
8
11-[3-[2,3-Dihydroxy-4-[5-hydroxy-6-methyl-3,4-bis[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy-5-methyloxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxytetradecanoic acid
975.10
-1.1
12
23
352.13
22
methyl 11-[(2R,3R,4S,5S,6R)-3-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4S,5R,6S)-4-[[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methyl]-3-hydroxy-6-methyl-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxytetradecanoate
1165.30
-2.5
15
28
431.28
27
11-[(2R,3R,4S,5S,6R)-3-[(1R,2R,3S,4R,5S)-2-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)-4-methylcyclohexyl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxyhexadecanoic acid
869.00
1.8
10
18
283.98
23
[2-Methyl-6-(13-oxotetradecyl)piperidin-3-yl] 3-(4-hydroxyphenyl)prop-2-enoate
471.70
7.5
2
5
75.63
17
[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[[(1S,3R,6S,7S,8S,11S,12S,15R,16R)-7,12,16-trimethyl-15-[(2R)-6-methyl-5-methylideneheptan-2-yl]-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]oxan-2-yl]methyl acetate
757.00
10.1
0
10
123.66
16
[(2R,3R)-4-acetyloxy-3-[(4-acetyloxy-3-methoxyphenyl)methyl]-2-[(3,4-dimethoxyphenyl)methyl]butyl] acetate
502.60
4.1
0
9
106.59
16
methyl 2-[(1R,2S,5R,6R,13S,14R,16S)-6-(furan-3-yl)-1,5,15,15-tetramethyl-14-[(E)-3-methyl-2-oxopent-3-enoxy]-8,17-dioxo-7-oxatetracyclo[11.3.1.02,11.05,10]heptadec-10-en-16-yl]acetate
566.70
3.7
0
8
109.11
8
7,7,12,16-Tetramethyl-15-(6-methyl-5-methylideneheptan-2-yl)pentacyclo[9.7.0.01,3.03,8.012,16]octadec-8-en-6-ol
438.70
9.5
1
1
20.23
5
(1S,3S,6S,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-6-methyl-5-methylideneheptan-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadec-8-en-6-ol
438.70
9.5
1
1
20.23
5
[(1R,8S)-3-acetyloxy-11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2,4,6-trien-4-yl] acetate
400.50
4.9
0
5
61.83
5
10-Hydroxy-10-(2-oxohexyl)phenanthren-9-one
308.40
3.8
1
3
54.37
5
(3S,5R,9R,10R,13S,14S,17S)-17-[(1S)-1-[(3aS,6aS)-2,2,4,4-tetramethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]ethyl]-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
514.80
7.3
1
4
47.92
2
6,7-dimethoxy-8',8'-dimethylspiro[2H-chromene-3,2'-pyrano[2,3-h][1,3]benzodioxine]-4,4'-dione
424.40
3.6
0
8
89.52
2
6,7-dimethoxy-7',7'-dimethylspiro[2H-chromene-3,2'-furo[2,3-f]chromene]-3',4-dione
408.40
3.6
0
7
80.29
2
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