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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
Pandamarilactam 3x
235.28
1.3
0
3
46.61
4
2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-6-[2-O-[6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-I(2)-D-glucopyranosyl]-I(2)-D-glucopyranosyl]-4H-1-benzopyran-4-one
756.70
0
11
18
306.73
10
Isovitexin 2''-(6'''-(E)-p-coumaroylglucoside)
740.70
0.4
10
17
286.5
10
5,7-Dihydroxy-6-[2-O-[6-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]-I(2)-D-glucopyranosyl]-I(2)-D-glucopyranosyl]-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
770.70
0.3
10
18
295.73
11
[(1R,2R,3R,4aR,5R,8S,8aR)-5-[(3aS,5S,6aS)-3a,4,5,6a-tetrahydrofuro[2,3-b]furan-5-yl]-8-acetyloxy-8a-(acetyloxymethyl)-3-hydroxy-5,6-dimethylspiro[3,4,4a,8-tetrahydro-2H-naphthalene-1,2'-oxirane]-2-yl] 2-acetyloxy-2-methylpropanoate
592.60
1.4
1
12
156.42
11
5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
626.50
-1.6
11
17
289.66
6
2-[3,4-dihydroxy-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]-3,5,7-trihydroxychromen-4-one
450.30
0.1
8
12
210.51
3
(1S,8S,9R,16S)-9-[5-[(E)-2-[3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-4-yl]ethenyl]-2-hydroxyphenyl]-8,16-bis(4-hydroxyphenyl)-15-oxatetracyclo[8.6.1.02,7.014,17]heptadeca-2(7),3,5,10(17),11,13-hexaene-4,6,12-triol
904.90
10.5
10
12
224.67
7
5-[(2S,3S)-4-[(2R,3R)-5-[(E)-2-[3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-4-yl]ethenyl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol
904.90
10.7
9
12
213.67
8
(1S,4aS,4bR,7R,10aR)-7-ethenyl-1-(hydroxymethyl)-1,4a,7-trimethyl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-9-one
302.50
4.7
1
2
37.3
2
(1S,3R,11S)-8,9-dimethoxy-15,15-dimethyl-4,14-dioxo-7-propan-2-yl-2-oxatetracyclo[9.4.0.01,3.05,10]pentadeca-5,7,9,12-tetraene-11-carbaldehyde
384.40
2.3
0
6
82.2
4
(1R,9S,10S)-3,4-dimethoxy-11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo[7.5.2.01,10.02,7]hexadeca-2,4,6,13-tetraene-8,12,15-trione
384.40
3.2
0
6
78.9
3
[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[[(4bR,8aR,10S)-10-acetyloxy-4b-(acetyloxymethyl)-4-hydroxy-8,8-dimethyl-7-oxo-2-propan-2-yl-6,8a,9,10-tetrahydro-5H-phenanthren-3-yl]oxy]oxan-2-yl]methyl acetate
762.80
3.1
1
16
213.56
17
15-Hydroxy-14-methoxy-7,7-dimethyl-13-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,9,11,13-hexaene-2,6-dione
338.40
4.5
1
4
63.6
2
[(1S,2S,3R,4R,6S,8S,9R,10R,13R,14R,16R)-2,3,4,6,9,14-hexahydroxy-5,5,9,14-tetramethyl-16-tetracyclo[11.2.1.01,10.04,8]hexadecanyl] propanoate
442.50
0.3
6
8
147.68
3
methyl (4aS,6aR,6aS,6bR,8aR,10R,11R,12aS,14bS)-10,11-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-4a-carboxylate
500.70
5.8
2
5
83.83
2
methyl (4aS,6aR,6bS,8aR,10S,12aS,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,14b-dodecahydropicene-4a-carboxylate
468.70
7.5
1
3
46.53
2
methyl (4aS,6aR,6aS,6bR,8aR,10R,11R,12aR,14bS)-10-hydroxy-11-methoxy-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
500.80
7.4
1
4
55.76
3
Dihydroisocycloartomunin
450.50
5.8
3
7
109.36
4
2,3,4,5-tetramethoxy-6-[(E)-3-phenylprop-1-enyl]phenol
330.40
4
1
5
57.15
7
Card-20(22)-enolide, 3-[(2,6-dideoxy-I(2)-D-xylo-hexopyranosyl)oxy]-14-hydroxy-, (3I(2),5I(2))-
504.70
2.5
3
7
105.45
3
[(2R,3R,4S)-4-[bis(7-methoxy-1,3-benzodioxol-5-yl)methyl]-2-hydroxyoxolan-3-yl]methyl acetate
474.50
2.7
1
10
111.14
8
(2R,3S,4S,5R,6S)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-(4-hydroxyphenoxy)oxane-3,4,5-triol
404.40
-2.4
7
11
178.53
6
4H-1-Benzopyran-4-one, 7-[(4-O-I(2)-D-glucopyranosyl-I(2)-D-glucopyranosyl)oxy]-5-hydroxy-3-[[2-O-[2-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propenyl]-I(2)-D-glucopyranosyl]-I(2)-D-glucopyranosyl]oxy]-2-(4-hydroxyphenyl)-
1141.00
-2.6
16
30
472.49
19
4H-1-Benzopyran-4-one, 7-[(4-O-I(2)-D-glucopyranosyl-I(2)-D-glucopyranosyl)oxy]-5-hydroxy-3-[[2-O-[2-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]-I(2)-D-glucopyranosyl]-I(2)-D-glucopyranosyl]oxy]-2-(4-hydroxyphenyl)-
1111.00
-2.6
16
29
463.26
18
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