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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
(5R,6R,7R)-5-(4-hydroxyphenyl)-3-methoxy-6,7-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol
298.40
4.5
2
3
49.69
2
Octacosyl Hexadecanoate
649.20
21.7
0
2
26.3
42
Isovitexin 2''-(6'''-(E)-p-coumaroylglucoside) 4'-glucoside
902.80
-1.4
13
22
365.65
13
Isovitexin 2''-(6'''-(E)-feruloylglucoside) 4'-glucoside
932.80
-1.5
13
23
374.88
14
[(2R,3S,4S,5R,6S)-6-[(2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-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
932.80
-1.5
13
23
374.88
14
(1R,2S,6R,7R)-2,6-dimethyl-3-propan-2-yltricyclo[5.2.1.02,6]dec-3-ene
204.35
4.7
0
0
0
1
(1R,5R,6S,7S,10R)-4,10-dimethyl-7-propan-2-yltricyclo[4.4.0.01,5]dec-3-ene
204.35
4.5
0
0
0
1
(1R,5R,6S,7S,10R)-10-methyl-4-methylidene-7-propan-2-yltricyclo[4.4.0.01,5]decane
204.35
4.7
0
0
0
1
(1S,2R,4aS,4bS,7R,9S,10aS)-1-(hydroxymethyl)-7-(1-hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,4b,5,6,7,9,10,10a-decahydrophenanthrene-2,9-diol
338.50
2.3
4
4
80.92
3
[(1R,2R,3S,4R,5S,6R,8S,10S,11S,12S,13S,16S,17R,19S,20R)-17-acetyloxy-6-(2,5-dioxofuran-3-yl)-3,4,12-trihydroxy-1,5,11,16-tetramethyl-7-oxo-9,14-dioxahexacyclo[11.6.1.02,11.05,10.08,10.016,20]icosan-19-yl] (E)-2-methylbut-2-enoate
644.70
0.7
3
13
195.49
6
[(1R,2R,4S,5S,7S,8R,9R,10R,12S,16S,21R)-5-acetyloxy-7-(furan-3-yl)-4-hydroxy-1,8,16-trimethyl-3-methylidene-14,19-dioxo-11,15,18-trioxapentacyclo[10.9.0.02,10.04,8.016,21]henicosan-9-yl] (2R,3R)-2-hydroxy-3-methylpentanoate
644.70
2.2
2
12
168.03
8
(4aR,5'R,7R,8R,8aS)-5'-[(2R)-2-hydroxy-5-oxo-2H-furan-4-yl]-4,7-dimethylspiro[1,4a,5,6,7,8a-hexahydronaphthalene-8,3'-oxolane]-2,2'-dione
346.40
1.2
1
6
89.9
1
(6aR,6aS,6bR,8aR,10R,12aS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,5,6,6a,7,8,8a,10,11,12-decahydropicen-3-one
422.60
6.2
1
2
37.3
0
(4aR,6aR,6bS,14aR,14bS)-4,4,6a,6b,11,11,14b-heptamethyl-2,4a,5,6,7,8,12,14a-octahydro-1H-picene-3,10-dione
420.60
5.9
0
2
34.14
0
(6aR,11aR)-3-methoxy-2-methyl-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-1,9-diol
300.30
2.6
2
5
68.15
1
methyl (1S,2R,4S,5S,6S,10S)-5-hydroxy-2-methyl-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-ene-7-carboxylate
566.50
-4.7
8
16
246.82
8
methyl (1S,2R,4S,5R,6R,10S)-5,6-dihydroxy-2-methyl-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-ene-7-carboxylate
582.50
-5.3
9
17
267.05
8
methyl (1S,2R,4S,5R,6R,10S)-5,6-dihydroxy-2-methyl-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-ene-7-carboxylate
582.50
-5.3
9
17
267.05
8
6 inverted exclamation marka-O-|A-D-Glucopyranosylphlorigidoside C
566.50
-4.7
8
16
246.82
8
methyl (1S,4aS,5R,7S,7aS)-7-acetyloxy-5-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate
610.60
-4.2
8
17
260.59
10
methyl (1S,4aS,5R,7S,7aS)-5,7-dihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate
568.50
-4.8
9
16
254.52
8
methyl (1S,4aS,5R,7S,7aS)-7-acetyloxy-5-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate
610.60
-4.2
8
17
260.59
10
methyl (1S,4aS,5R,7S,7aS)-5,7-dihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate
568.50
-4.8
9
16
254.52
8
(1R,2R,13S,15R)-11-hydroxy-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadeca-8,10-dien-12-one
259.34
1.8
1
3
40.54
0
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (2R,4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-hydroxy-9-(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-1-methylidene-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
632.80
4.3
6
9
156.91
5
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