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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
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-icosanoyloxypropan-2-yl] docos-13-enoate
830.20
14.7
2
9
144.19
48
3-[3-[4,5-Dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8a-[3-[3,4-dihydroxy-6-methyl-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxycarbonyl-2,8-dihydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid
1415.50
-4.5
20
34
549.5
17
(2S,3R,4S,4aR,6aR,6bS,8R,8aR,12aS,14aR,14bR)-3-[(2R,3R,4S,5S,6R)-3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8a-[(2S,3R,4S,5S)-3-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxycarbonyl-2,8-dihydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid
1415.50
-4.5
20
34
549.5
17
[(2R)-2-octadecanoyloxy-3-octadec-11-enoyloxypropyl] octadecanoate
889.50
24.3
0
6
78.9
55
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-octadeca-9,12-dienoyloxypropan-2-yl] icos-11-enoate
770.10
11
2
9
144.19
42
[(2R)-3-[[3-[[(2R)-2,3-di(octadec-9-enoyloxy)propoxy]-hydroxyphosphoryl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-2-octadec-9-enoyloxypropyl] octadec-9-enoate
1458.00
26.7
3
17
256.57
82
[(2S,3R,4S,5R,6R)-4-[(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-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] (4R,4aS,6aR,6aR,6bR,7S,8aR,10S,12aS,14bS)-10-[(2R,3R,4S,5S,6R)-5-[(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-4-hydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4,7-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
1607.70
-5.9
24
39
631.81
21
[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-octadeca-9,12,15-trienoyloxypropyl] octadeca-9,12,15-trienoate
767.00
9.7
3
10
158.63
38
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-octadeca-6,9,12-trienoyloxypropan-2-yl] docosanoate
798.10
12.3
2
9
144.19
44
Songaroside A
1661.80
-6.2
22
39
609.81
21
[(2R,3R,4S,5S)-3-[(2S,3R,4R,5R,6R)-3,4-dihydroxy-5-[(2R,3R,4R,5R)-3-hydroxy-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl] (4aR,6aR,6aS,6bR,8R,8aS,9R,10R,11S,12aR,14bS)-8,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
1385.50
-4.7
19
32
512.2
16
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-hexadecanoyloxypropan-2-yl] docos-13-enoate
774.10
12.6
2
9
144.19
44
8,8-Dimethylpyrano[2,3-f]chromene-2,9,10-trione
258.23
1.6
0
5
73.58
0
(2R)-6-methyl-2-[(1S,3R,8S,11S,12S,15R,16R)-7,7,12,16-tetramethyl-6-oxo-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]heptanoic acid
456.70
8.5
1
3
54.37
6
[(2S)-3-hydroxy-2-octadeca-6,9,12-trienoyloxypropyl] docosanoate
675.10
16.1
1
5
72.83
39
[(2S)-1-hydroxy-3-octadec-9-enoyloxypropan-2-yl] docosanoate
679.10
17.4
1
5
72.83
41
[(2S,3R,4S,5S,6R)-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2R,3R,4R,5S,6R)-3-acetamido-5-hydroxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-6-[[(2R,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
1218.40
-0.7
14
25
401.46
15
[(2R)-3-[hydroxy-[2-hydroxy-3-[hydroxy-[(2R)-3-octadeca-9,12-dienoyloxy-2-octadeca-9,12,15-trienoyloxypropoxy]phosphoryl]oxypropoxy]phosphoryl]oxy-2-octadeca-9,12-dienoyloxypropyl] octadeca-9,12-dienoate
1447.90
23.3
3
17
256.57
77
[(2S,3R,4R,5S,6S)-2-[[(2R,3S,4S,5R,6S)-6-[(2R,3R,4R,5S,6S)-2-[(2Z,6E,10E,14S)-14-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraenoxy]-3,5-dihydroxy-6-methyloxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,5-dihydroxy-6-methyloxan-4-yl] (2E,4R,6E,10E,14S)-4-hydroxy-2,6,10,14-tetramethyl-14-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexadeca-2,6,10,15-tetraenoate
1565.80
0.9
19
33
521.43
40
[(2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5S,6R)-6-[(2S,3R,4S,5S,6R)-2-[(2S)-2,3-bis[(3R,7R,11R)-3,7,11,15-tetramethylhexadecoxy]propoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] hydrogen sulfate
1219.60
11.5
10
21
327.89
45
[(2S)-1-hydroxy-3-octadeca-9,12-dienoyloxypropan-2-yl] docosanoate
677.10
16.8
1
5
72.83
40
[(2S)-3-hydroxy-2-octadeca-9,12,15-trienoyloxypropyl] docosanoate
675.10
16.1
1
5
72.83
39
[(2R)-3-[hydroxy-[2-hydroxy-3-[hydroxy-[(2R)-2-octadeca-9,12-dienoyloxy-3-octadec-11-enoyloxypropoxy]phosphoryl]oxypropoxy]phosphoryl]oxy-2-octadec-11-enoyloxypropyl] octadec-11-enoate
1456.00
26
3
17
256.57
81
[(2R,3S,4R,5R,6S)-5-[(2R,3S,4R,5R,6S)-3-acetyloxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2R,3S,4R,5S)-4-[(2R,3S,4S)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-[[(2E,6S)-6-hydroxy-2,6-dimethylocta-2,7-dienoyl]oxymethyl]oxan-2-yl] (4aR,5S,6aS,6aR,6bS,8aS,10R,12aS,14bS)-10-[(2S,3S,4S,5R,6S)-3-acetamido-6-[[(2R,3S,4R,5S)-4,5-dihydroxy-3-[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxymethyl]-4-hydroxy-5-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
1899.00
-3.8
22
43
671.28
32
[(2S)-3-hydroxy-2-octadec-11-enoyloxypropyl] docos-13-enoate
677.10
16.5
1
5
72.83
40
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