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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(1R,2S,3R,4S,6S)-3-ethyl-3'-methylspiro[5-oxa-10-azatricyclo[8.3.0.02,6]tridecane-4,5'-furan]-2',11-dione
|
305.40
|
1.8
|
0
|
4
|
55.84
|
1
|
|
|
(1R,3S,9R,10R,11S,14S,15S,16S)-10-ethyl-14-methyl-3-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]-12-oxa-4-azatetracyclo[7.6.1.04,16.011,15]hexadecan-13-one
|
375.50
|
3.9
|
0
|
5
|
55.84
|
2
|
|
|
(2R,3S,4S,5R,6S)-2-[[(2R,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol
|
611.50
|
|
11
|
15
|
270.75
|
6
|
|
|
(8S)-5-hydroxy-2-(4-hydroxyphenyl)-3-methoxy-8,9,9-trimethyl-8H-furo[2,3-h]chromen-4-one
|
368.40
|
4.5
|
2
|
6
|
89.13
|
2
|
|
|
(2R)-7-(3,4-dihydroxyphenyl)-2,3,3-trimethyl-2H-furo[3,2-g]chromen-5-one
|
338.40
|
3.8
|
2
|
5
|
79.9
|
1
|
|
|
(2R)-6-(2,2-dimethylchromen-6-yl)-4-hydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydrofuro[3,2-g]chromen-5-one
|
420.50
|
4.3
|
2
|
6
|
89.13
|
2
|
|
|
(2S,6R)-6-(2,4-dihydroxyphenyl)-4-hydroxy-2-prop-1-en-2-yl-2,3,6,7-tetrahydrofuro[3,2-g]chromen-5-one
|
354.40
|
3.9
|
3
|
6
|
96.22
|
2
|
|
|
(1S,4R,5R,8R,10S,13R,14S,17S,18S,19R,20S)-10-hydroxy-4,5,9,9,13,19,20-heptamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-23-one
|
454.70
|
7.2
|
1
|
3
|
46.53
|
0
|
|
|
(1S,3R,5S,7R,9R,10R,12R,14R,15S,18R,19R,22S,23R)-10,22-dihydroxy-7,18-dimethyl-19-(5-oxo-2H-furan-3-yl)spiro[4,6,11-trioxahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacosane-9,2'-5H-1,3-thiazole]-14-carbaldehyde
|
587.70
|
1.4
|
2
|
10
|
149.18
|
2
|
|
|
(2R,3R,4S,5R,6R)-2-[(2R)-4-[(1R,2S,4S,6R,7S,8R,9S,12S,13S,16S,18S)-16-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-5-[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-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
|
17
|
28
|
445.44
|
18
|
|
|
(2S)-4-[(13S)-13-hydroxy-13-[(2R,5S)-5-[(1R)-1-hydroxypentadecyl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one
|
592.90
|
12.9
|
2
|
5
|
75.99
|
28
|
|
|
Alt(b1-6)Alt(b1-6)L-All(b1-6)Gal(a1-2b)D-Sorf
|
828.70
|
-10.1
|
17
|
26
|
426.98
|
14
|
|
|
[(2S,3R,4S,5R,6S)-4,5-dihydroxy-6-[[(1S,2S,4S,5S,6S,10S)-2-(hydroxymethyl)-10-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl]oxy]-2-methyloxan-3-yl] (E)-3-(4-methoxyphenyl)prop-2-enoate
|
668.60
|
-1.7
|
7
|
16
|
235.82
|
11
|
|
|
(1S,2S,20S,42S,46R)-7,8,9,12,13,14,25,26,27,30,31,32,35,36,37,46-hexadecahydroxy-3,18,21,41,43-pentaoxanonacyclo[27.13.3.138,42.02,20.05,10.011,16.023,28.033,45.034,39]hexatetraconta-5,7,9,11,13,15,23,25,27,29(45),30,32,34(39),35,37-pentadecaene-4,17,22,40,44-pentone
|
934.60
|
0.9
|
16
|
26
|
455.18
|
0
|
|
|
5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
|
594.50
|
-2.3
|
11
|
15
|
271.2
|
5
|
|
|
methyl (1R,9S,10S,12S,13R,20S)-9-hydroxy-12-methyl-11-oxa-8,17-diazahexacyclo[11.6.1.110,13.01,9.02,7.017,20]henicosa-2,4,6,14-tetraene-10-carboxylate
|
368.40
|
2.3
|
2
|
6
|
71.03
|
2
|
|
|
methyl (1R,9R,10S,11R,12S,19S,20S)-20-methyl-8,16-diazahexacyclo[10.6.1.19,11.01,9.02,7.016,19]icosa-2,4,6,13-tetraene-10-carboxylate
|
336.40
|
2.8
|
1
|
4
|
41.57
|
2
|
|
|
[(2S,3R,4R,5R,6R)-4,5-dihydroxy-2-methyl-6-[[(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[7-hydroxy-5-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromenylium-3-yl]oxyoxan-2-yl]methoxy]oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
|
919.80
|
|
14
|
22
|
376.2
|
13
|
|
|
5-[(2S,3R,4S,5S)-5-(3,4-dimethoxyphenyl)-3,4-bis(methoxymethyl)oxolan-2-yl]-1,3-benzodioxole
|
416.50
|
2.9
|
0
|
7
|
64.61
|
8
|
|
|
(4bS,8aS,9R)-4,9-dihydroxy-1-methoxy-4b,8,8-trimethyl-2-propan-2-yl-6,7,8a,9-tetrahydro-5H-phenanthren-3-one
|
346.50
|
3.7
|
2
|
4
|
66.76
|
2
|
|
|
(9R)-9,12-dihydroxy-5-methoxy-2,2,9-trimethyl-8,10-dihydronaphtho[6,7-h]chromen-11-one
|
354.40
|
3.6
|
2
|
5
|
75.99
|
1
|
|
|
5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
|
432.40
|
0.2
|
7
|
10
|
181.05
|
3
|
|
|
8-[(2S,3R,4S,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
|
578.50
|
-0.9
|
9
|
14
|
239.97
|
5
|
|
|
(3R,4aS,5S,6S)-5-ethenyl-3-methoxy-6-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-1-one
|
388.40
|
-0.9
|
4
|
10
|
144.14
|
5
|
|
|
[(1R,4S,5S,7R,8S,9S)-5-acetyloxy-4,7-dihydroxy-11-methylidene-2,10-dioxatricyclo[5.3.1.04,8]undecan-9-yl] 3-methylbutanoate
|
356.40
|
-0.3
|
2
|
8
|
111.52
|
6
|
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