SCFBio, IIT Delhi
Hauz Khas, New Delhi
BIMP
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SCFBio, IIT Delhi
Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
3,26-Dihydroxycholest-5-ene-16,22-dione
|
430.60
|
3.8
|
2
|
4
|
74.6
|
6
|
|
|
Trifloroside
|
782.70
|
0.5
|
5
|
20
|
278.8
|
16
|
|
|
[(1R,2R,3R,4S,5S,6R,8R,10R,11R)-2-acetyloxy-5-[2-[(3S)-2-hydroxyoxolan-3-yl]ethyl]-4,5-dimethyl-10-[(E)-2-methylbut-2-enoyl]oxyspiro[9-oxatricyclo[6.2.2.01,6]dodecane-11,2'-oxirane]-3-yl] (E)-2-methylbut-2-enoate
|
590.70
|
4.5
|
1
|
10
|
130.12
|
11
|
|
|
[(1R,2S,4R,5S,6R,8R,10R,11R)-2-acetyloxy-5-[2-[(3S)-2-hydroxyoxolan-3-yl]ethyl]-4,5-dimethylspiro[9-oxatricyclo[6.2.2.01,6]dodecane-11,2'-oxirane]-10-yl] (E)-2-methylbut-2-enoate
|
492.60
|
3.7
|
1
|
8
|
103.82
|
8
|
|
|
methyl (1S,10S,11S,12Z,17S)-12-ethylidene-2-oxo-9-aza-14-azoniapentacyclo[9.5.2.01,9.03,8.014,17]octadeca-3,5,7-triene-10-carboxylate
|
339.40
|
2.1
|
1
|
4
|
51.05
|
2
|
|
|
Cistanoside F
|
488.40
|
-2.6
|
8
|
13
|
223.67
|
11
|
|
|
[(3aS,6R,10S,11R,11aS)-10-hydroxy-6,10-dimethyl-3-methylidene-2,5-dioxo-3a,4,6,7,8,9,11,11a-octahydrocyclodeca[b]furan-11-yl] (2R)-2-methylbutanoate
|
366.40
|
2.6
|
1
|
6
|
89.9
|
4
|
|
|
(4-Hydroxy-2-methoxy-6-pentylphenyl) acetate
|
252.31
|
3.7
|
1
|
4
|
55.76
|
7
|
|
|
Juncusyl ester A
|
278.30
|
2.1
|
1
|
5
|
64.99
|
5
|
|
|
2-O-Coumaroylglycerol
|
238.24
|
0.5
|
3
|
5
|
86.99
|
6
|
|
|
(2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6S)-6-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(1R,2S,4S,5'S,6R,7S,8R,9S,12S,13S,16S,18R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-2-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
1035.20
|
-0.9
|
12
|
22
|
335.06
|
11
|
|
|
(2S,3R,4S,5R,6R)-2-[(2R,3S,4S,5R,6S)-6-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(1R,2S,4S,5'S,6R,7S,8R,9S,12S,13S,16S,18R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxy-4-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
1197.30
|
-2.5
|
15
|
27
|
414.21
|
14
|
|
|
[(3S,4S)-8-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-11-methoxy-3,4,5,6-tetrahydro-2H-naphtho[2,1-f]chromen-4-yl] acetate
|
462.50
|
4.3
|
2
|
7
|
94.45
|
5
|
|
|
[(2S,3R,4S,5S,6R)-2-[[(1R,15S,16R,17S)-16-ethenyl-4,5-dihydroxy-11-oxo-14-oxa-10-azatetracyclo[8.8.0.02,7.012,17]octadeca-2,4,6,12-tetraen-15-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
|
667.70
|
1.8
|
6
|
13
|
204.91
|
9
|
|
|
[(2S,3R,4S,5S,6R)-2-[[(1R,15S,16R,17S)-16-ethenyl-4-hydroxy-5-methoxy-11-oxo-14-oxa-10-azatetracyclo[8.8.0.02,7.012,17]octadeca-2,4,6,12-tetraen-15-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
|
681.70
|
2.1
|
5
|
13
|
193.91
|
10
|
|
|
[(2S,3R,4S,5S,6R)-2-[[(1R,15S,16R,17S)-16-ethenyl-4,5-dihydroxy-11-oxo-14-oxa-10-azatetracyclo[8.8.0.02,7.012,17]octadeca-2,4,6,12-tetraen-15-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
|
697.70
|
1.8
|
6
|
14
|
214.14
|
10
|
|
|
[(2S,3R,4S,5S,6R)-2-[[(1R,15S,16R,17S)-16-ethenyl-4-hydroxy-5-methoxy-11-oxo-14-oxa-10-azatetracyclo[8.8.0.02,7.012,17]octadeca-2,4,6,12-tetraen-15-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
|
711.70
|
2.1
|
5
|
14
|
203.14
|
11
|
|
|
[(2S,3R,4S,5S,6R)-2-[[(1R,15S,16R,17S)-16-ethenyl-5-hydroxy-4-methoxy-11-oxo-14-oxa-10-azatetracyclo[8.8.0.02,7.012,17]octadeca-2,4,6,12-tetraen-15-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
|
711.70
|
2.1
|
5
|
14
|
203.14
|
11
|
|
|
[(2S,3R,4S,5S,6R)-2-[[(1R,15S,16R,17S)-16-ethenyl-4-hydroxy-5-methoxy-11-oxo-14-oxa-10-azatetracyclo[8.8.0.02,7.012,17]octadeca-2,4,6,12-tetraen-15-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-[4-(1,3-dihydroxypropan-2-yloxy)-3-methoxyphenyl]prop-2-enoate
|
755.80
|
1.2
|
6
|
15
|
223.37
|
14
|
|
|
Avenanthramide L
|
325.30
|
3.2
|
4
|
5
|
106.86
|
5
|
|
|
(2R,3R,4S,5S,6R)-2-[(2S)-4-[(1R,2S,4S,6R,7S,8R,9S,12S,13S,16S,18R)-16-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-methoxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-6-yl]-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
1229.40
|
-3
|
16
|
28
|
434.44
|
19
|
|
|
(2R,3R,4S,5S,6R)-2-[(2S)-4-[(1R,2S,4S,6R,7S,8R,9S,12S,13S,16S,18R)-16-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-6-yl]-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
1215.30
|
-3.5
|
17
|
28
|
445.44
|
18
|
|
|
3-hydroxy-3-methyl-5-oxo-5-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methoxy]pentanoic acid
|
576.50
|
-0.1
|
7
|
14
|
233.65
|
10
|
|
|
[(2S,3R,4S,5S,6R)-2-[[(1R,15S,16R,17S)-16-ethenyl-5-hydroxy-4-methoxy-11-oxo-14-oxa-10-azatetracyclo[8.8.0.02,7.012,17]octadeca-2,4,6,12-tetraen-15-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
|
681.70
|
2.1
|
5
|
13
|
193.91
|
10
|
|
|
(1R,5S,7R)-3-[(3,4-dihydroxyphenyl)-hydroxymethylidene]-6,6-dimethyl-5,7-bis(3-methylbut-2-enyl)-1-[(2R)-5-methyl-2-prop-1-en-2-ylhex-5-enyl]bicyclo[3.3.1]nonane-2,4,9-trione
|
602.80
|
10.6
|
3
|
6
|
111.9
|
11
|
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