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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
(4aS,7R,8R,8aS)-4,7,8-trimethyl-8-[2-(5-oxo-2H-furan-4-yl)ethyl]-1,2,5,6,7,8a-hexahydronaphthalene-4a-carboxylic acid
332.40
4.1
1
4
63.6
4
[(1R,2S,11R,14R,15R,18S,20R)-6-acetyloxy-1,8,11,15,19,19-hexamethyl-10-oxapentacyclo[12.8.0.02,11.04,9.015,20]docosa-4(9),5,7-trien-18-yl] acetate
496.70
7.3
0
5
61.83
4
[(2R)-3-hydroxy-3-methyl-1-(7-oxofuro[3,2-g]chromen-9-yl)oxybutan-2-yl] (1S,3R,4R,5R)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylate
654.60
2.3
5
14
215.56
12
[(2R)-3-hydroxy-3-methyl-1-(7-oxofuro[3,2-g]chromen-9-yl)oxybutan-2-yl] (E)-3-[7-[(2R)-2,3-dihydroxy-3-methylbutoxy]-6-hydroxy-1-benzofuran-5-yl]prop-2-enoate
608.60
3.6
4
12
182.17
12
9-[[(2R,4R)-9'-[(2R)-2-hydroxy-3-methoxy-3-methylbutoxy]-5,5-dimethylspiro[1,3-dioxolane-2,7'-furo[3,2-g]chromene]-4-yl]methoxy]furo[3,2-g]chromen-7-one
604.60
4.8
1
11
132.1
8
9-[[(2S,4R)-9'-[(2R)-2-hydroxy-3-methoxy-3-methylbutoxy]-5,5-dimethylspiro[1,3-dioxolane-2,7'-furo[3,2-g]chromene]-4-yl]methoxy]furo[3,2-g]chromen-7-one
604.60
4.8
1
11
132.1
8
(2S,3R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3-dihydrochromen-4-one
434.40
0.7
6
10
166.14
3
Kaempferol 3-O-xylosyl-rutinoside
740.70
-2
11
19
308.12
8
Laetirobin
752.70
7.9
4
12
197.85
7
[(2R,3S,4S,5R,6R)-6-[(2R)-4-[(1S,5R,8R)-1,5-dimethyl-3-oxo-6-oxabicyclo[3.2.1]octan-8-yl]butan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
540.60
0
6
12
192.44
9
(R)-1,2-Bis(3-methoxy-4-hydroxyphenyl)-3-hydroxy-1-propanone
318.32
1.8
3
6
96.22
6
[(2R,3S,4S,5R,6S)-6-[(2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-phenylprop-2-enoate
756.70
0.9
10
18
295.73
11
(E)-1-[(2S)-5-hydroxy-2-methyl-2-(4-methylpent-3-enyl)chromen-6-yl]-3-(4-hydroxyphenyl)prop-2-en-1-one
390.50
6.4
2
4
66.76
6
methyl 2-[(1S,3S,5R,7S,8S,9R,11S,12S,16R)-5-acetyloxy-12-(furan-3-yl)-6,6,8,11,16-pentamethyl-14,17-dioxo-2,13-dioxatetracyclo[7.6.2.01,11.03,8]heptadecan-7-yl]acetate
530.60
3.1
0
9
118.34
6
(4aS,8S,8aR)-4a-methyl-5-oxo-8-propan-2-yl-3,4,6,7,8,8a-hexahydronaphthalene-2-carboxylic acid
250.33
2.6
1
3
54.37
2
(4aS,8S,8aR)-4a-methyl-5-oxo-8-propan-2-yl-3,4,6,7,8,8a-hexahydronaphthalene-2-carbaldehyde
234.33
2.5
0
2
34.14
2
Jasminoside N
478.50
-0.8
7
11
178.53
10
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 2,6,6-trimethylcyclohexa-1,3-diene-1-carboxylate
328.36
0.4
4
7
116.45
4
(4aR,5R,8aR,9aS)-5-hydroxy-3,5,8a-trimethyl-4a,6,7,8,9,9a-hexahydro-4H-benzo[f][1]benzofuran-2-one
250.33
2.1
1
3
46.53
0
(4aR,5R,8aR,9aR)-5-hydroxy-3,5,8a-trimethyl-4a,6,7,8,9,9a-hexahydro-4H-benzo[f][1]benzofuran-2-one
250.33
2.1
1
3
46.53
0
(2R,3R)-6-[(Z)-3-[(1S)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxoprop-1-enyl]-2-(3,4-dihydroxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid
538.50
3.2
6
12
200.28
9
[(3R,4aS,5S,6R,6aR,10R,10aS,10bS)-5,6-diacetyloxy-4a,6a,7,10b-tetramethyl-2'-oxospiro[2,5,6,9,10,10a-hexahydro-1H-benzo[f]chromene-3,4'-oxolane]-10-yl] benzoate
554.60
3.9
0
9
114.43
7
(2R,3R,4S,5S,6R)-2-[(2R)-4-(3,4-dihydroxyphenyl)butan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
344.36
0
6
8
139.84
6
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(1S,4S,6R,9R,10S,13R,14S)-14-hydroxy-5,5,9,13-tetramethyl-16,18-dioxatetracyclo[11.4.1.01,10.04,9]octadecan-6-yl]oxy]oxane-3,4,5-triol
500.60
0.8
5
9
138.07
3
(2R,3R,4S,5S,6R)-2-[[(3R,4aS,6aS,8R,10aR,10bS)-3-[(1S)-1,2-dihydroxyethyl]-3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromen-8-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
502.60
0.9
6
9
149.07
5
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