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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
beta-D-Glucopyranosiduronic acid, (2beta,3beta,4alpha)-28-(beta-D-glucopyranosyloxy)-2-hydroxy-23,28-dioxoolean-12-en-3-yl 3-O-(6-deoxy-alpha-L-mannopyranosyl)-
971.10
0.9
11
20
329.12
10
beta-D-Glucopyranosiduronic acid, (2beta,3beta)-28-(beta-D-glucopyranosyloxy)-2-hydroxy-28-oxoolean-12-en-3-yl 3-O-(6-deoxy-alpha-L-mannopyranosyl)-
957.10
2.3
11
19
312.05
9
(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13R,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-10,16,19-trione
442.60
2.8
0
5
69.67
0
(E)-3-phenyl-1-[(1R,2R,11S)-7,9,15-trihydroxy-3,3,8,14,19,19-hexamethyl-16-[(E)-3-phenylprop-2-enoyl]-4,12,18-trioxapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-5(10),6,8,13(21),14,16-hexaen-6-yl]prop-2-en-1-one
672.80
8.9
3
8
122.52
6
(E)-1-[(1R,2R,11S)-14-[(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)methyl]-7,9,15-trihydroxy-3,3,8,19,19-pentamethyl-16-[(E)-3-phenylprop-2-enoyl]-4,12,18-trioxapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-5(10),6,8,13(21),14,16-hexaen-6-yl]-3-phenylprop-2-en-1-one
852.90
10
6
12
200.28
9
(2Z)-2-[(3,4-dihydroxyphenyl)methylidene]-6-hydroxy-4-methoxy-7-methyl-1-benzofuran-3-one
314.29
2.9
3
6
96.22
2
3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxolan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromen-4-one
624.50
-0.4
8
16
247.43
8
3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxychromen-4-one
464.40
1
7
12
199.51
5
3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromen-4-one
478.40
1.3
6
12
188.51
6
5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
492.40
1.2
6
12
188.51
5
6-Methoxycinchonan-9-ol
324.40
2.7
1
4
45.59
4
Dipotassium;4-oxopyran-2,6-dicarboxylate
260.28
0
6
110.47
0
6,7'-Dihydroxy-10'-methoxyspiro[1,2-dihydroindene-3,3'-naphtho[2,1-e][1]benzofuran]-2'-one
398.40
5
2
5
75.99
1
(2S,3S)-3-hydroxy-2-prop-1-en-2-yl-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione
256.25
1.9
1
4
63.6
1
Chlorajapolide F
276.33
0.9
1
4
55.76
1
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,4S,5R,9S,10S,13R,15S)-15-hydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate
480.60
2.1
5
8
136.68
4
(E,2S)-2-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]-6-methylhept-4-en-3-one
236.35
3.3
0
2
26.3
5
trans-Hydroxydavanone
252.35
1.9
1
3
46.53
5
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-hydroxy-2-methoxyphenoxy)oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
454.40
0
7
12
195.6
7
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-hydroxy-3-methoxyphenoxy)oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
454.40
0
7
12
195.6
7
Atractylochromene
258.35
4.8
1
2
29.46
3
5-hydroxy-2-(4-methoxyphenyl)-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
430.40
0.8
4
9
138.82
4
2-[2-[7-(3-methylbut-2-enyl)-1H-indol-3-yl]ethylidene]propane-1,3-diol
285.40
3.4
3
2
56.25
6
N-[(2S,3S,4R)-1,3,4-trihydroxy-21-methyltricosan-2-yl]hexacosanamide
780.30
20.6
4
4
89.79
46
(2R)-2-hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxy-21-methyltricosan-2-yl]hexacosanamide
796.30
19.9
5
5
110.02
46
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