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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,3S,4R,5R,6R)-6-[[(12S)-2-(3,4-dihydroxyphenyl)-5,9,10-trihydroxy-4-oxo-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-12H-pyrano[2,3-a]xanthen-12-yl]methoxy]-4,5-dihydroxy-2-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
1231.10
-2.3
18
31
503.72
16
[(2R,3S,4R,5R,6R)-6-[2-[2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-8-yl]-4,5-dihydroxyphenyl]ethoxy]-4,5-dihydroxy-2-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
1233.10
-2.1
19
31
514.72
18
[(1S,2S,3R,4S,5S,6R)-2,3,6-trihydroxy-4,5-bis[[(Z)-2-methylbut-2-enoyl]oxy]cyclohexyl] (Z)-2-methylbut-2-enoate
426.50
1.6
3
9
139.59
9
[(1S,2R,3S,4R,5R,6S)-3-acetyloxy-2,5-dihydroxy-4,6-bis[[(Z)-2-methylbut-2-enoyl]oxy]cyclohexyl] (Z)-2-methylbut-2-enoate
468.50
2.2
2
10
145.66
11
[(1S,2R,3R,4S,5S,6R)-3-acetyloxy-2,6-dihydroxy-4,5-bis[[(Z)-2-methylbut-2-enoyl]oxy]cyclohexyl] (Z)-2-methylbut-2-enoate
468.50
2.2
2
10
145.66
11
[(1S,2R,3S,4R,5R,6S)-2,5-dihydroxy-4,6-bis[[(Z)-2-methylbut-2-enoyl]oxy]-3-(2-methylpropoxy)cyclohexyl] (Z)-2-methylbut-2-enoate
482.60
3.5
2
9
128.59
12
[(1S,2R,3R,4S,5R,6S)-2,3,6-trihydroxy-4,5-bis[[(Z)-2-methylbut-2-enoyl]oxy]cyclohexyl] (Z)-2-methylbut-2-enoate
426.50
1.6
3
9
139.59
9
[(1R,2S,3R,4R,5R,6S)-3-acetyloxy-2,6-dihydroxy-4,5-bis[[(Z)-2-methylbut-2-enoyl]oxy]cyclohexyl] (Z)-2-methylbut-2-enoate
468.50
2.2
2
10
145.66
11
[(1S,2S,3R,4S,5R,6S)-2,3-diacetyloxy-6-hydroxy-4,5-bis[[(Z)-2-methylbut-2-enoyl]oxy]cyclohexyl] (Z)-2-methylbut-2-enoate
510.50
2.8
1
11
151.73
13
[(1S,2R,3R,4S,5R,6S)-2,3,6-trihydroxy-4,5-bis[[(Z)-2-methylbut-2-enoyl]oxy]cyclohexyl] (E)-3-methylpent-2-enoate
440.50
2.3
3
9
139.59
10
4-Methoxybenzofuran-5-carboxamide
191.18
1.2
1
3
65.46
2
6-Methoxybenzofuran-5-carboxamide
191.18
1.2
1
3
65.46
2
4-Hydroxy-1-benzofuran-5-carboxamide
177.16
1.4
2
3
76.46
1
(2S,3S)-3,5,7-trihydroxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
302.28
2.2
3
6
96.22
2
(2R,3R,4S,5S,6R)-2-[[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-12-hydroxy-17-[(2E,5S)-5-hydroxy-6-methylhepta-2,6-dien-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
620.90
5.9
6
8
139.84
7
[(2R,3S,4S,5R,6R)-6-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate
680.90
4.3
6
10
166.14
9
(2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-6,12-dihydroxy-4,4,8,10,14-pentamethyl-17-[(2E)-6-methylhepta-2,5-dien-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
620.90
5.6
6
8
139.84
6
Isoginsenoside Rh3
604.90
7
5
7
119.61
6
7-Methoxy obtusifolin
314.29
3
2
6
93.06
2
1-[3-[(2R,3S,4S)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-1,6-dimethoxy-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynaphthalen-2-yl]ethanone
556.50
-1.2
7
14
214.06
9
3beta,22beta-Dihydroxyolean-12-en-30-oic acid
472.70
6.1
3
4
77.76
1
(2S)-2-(4-{[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl]oxy}-3-methoxyphenyl)-5-hydroxy-4-oxo-3,4-dihydro-2H-chromen-7-yl beta-D-glucopyranoside
596.50
-0.9
8
15
234.29
8
N-Acetyldeacetoxycephalosporin C
399.40
-1.1
4
8
178.41
8
(2S,11S)-17,17-dimethyl-4,12,18-trioxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),5(10),6,8,14(19),15,20-heptaen-7-ol
322.40
3.6
1
4
47.92
0
Dehydroaustin
498.50
1.6
0
9
114.43
2
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