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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
5-hydroxy-2-[4-hydroxy-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-7-methoxy-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
|
624.50
|
-1.6
|
10
|
16
|
269.43
|
7
|
|
|
Aurantiamide benzoate
|
506.60
|
6.1
|
2
|
4
|
84.5
|
12
|
|
|
(1R)-1-[[3-[4-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]-4-methoxyphenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
|
624.80
|
6.7
|
1
|
8
|
72.86
|
10
|
|
|
(2S)-4-[(E)-2-[(2R)-2-carboxy-5-[(2S,3R,4S,5S,6R)-3-[(2R,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxy-2,3-dihydroindol-1-yl]ethenyl]-2,3-dihydropyridine-2,6-dicarboxylic acid
|
726.60
|
-2.6
|
11
|
21
|
343.33
|
11
|
|
|
1-(2,4-Dihydroxy-5,7-dimethoxy-3-methyl-9,10-dioxoanthracen-1-yl)-2,4-dihydroxy-5,7-dimethoxy-3-methylanthracene-9,10-dione
|
626.60
|
5.7
|
4
|
12
|
186.12
|
5
|
|
|
5,6,7,8-tetrahydroxy-2-(4-hydroxyphenyl)-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-4-one
|
626.50
|
-1.6
|
11
|
17
|
289.66
|
6
|
|
|
2-[3,4-dihydroxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]-5,7-dihydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
|
626.50
|
-1.3
|
11
|
17
|
289.66
|
6
|
|
|
(2S)-5,7-dihydroxy-6-methyl-8-(3-methylbut-2-enyl)-2-phenyl-2,3-dihydrochromen-4-one
|
338.40
|
5
|
2
|
4
|
66.76
|
3
|
|
|
(4R)-4,5-dihydroxy-8-(4-hydroxyphenyl)-2,2-dimethyl-3,4-dihydropyrano[3,2-g]chromen-6-one
|
354.40
|
2.9
|
3
|
6
|
100.13
|
1
|
|
|
2,3,5-trimethoxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyxanthen-9-one
|
626.60
|
-1.4
|
7
|
16
|
236.43
|
9
|
|
|
Bixin aldehyde
|
348.50
|
7.1
|
0
|
2
|
34.14
|
10
|
|
|
1-[3,5-Bis[(3-acetyl-2,6-dihydroxy-4-methoxy-5-methylphenyl)methyl]-2,4,6-trihydroxyphenyl]-2-methylbutan-1-one
|
626.60
|
6.1
|
7
|
12
|
211.28
|
11
|
|
|
[(12R,13S,14R)-1-hydroxy-3-methoxy-12-(4-methoxyphenyl)-14-[2-(3-methylbutanoylamino)pyrrolidine-1-carbonyl]-13-phenyl-5,7,11-trioxatetracyclo[10.2.1.02,10.04,8]pentadeca-2,4(8),9-trien-15-yl] acetate
|
686.70
|
4.5
|
2
|
10
|
142.09
|
10
|
|
|
N-[1-[(12R,13R,14S)-1,15-dihydroxy-3-methoxy-12-(4-methoxyphenyl)-14-phenyl-5,7,11-trioxatetracyclo[10.2.1.02,10.04,8]pentadeca-2,4(8),9-triene-13-carbonyl]pyrrolidin-2-yl]-3-methylbutanamide
|
644.70
|
3.9
|
3
|
9
|
136.02
|
8
|
|
|
N-[1-[(12R,13S,14R)-1,15-dihydroxy-3-methoxy-12-(4-methoxyphenyl)-14-phenyl-5,7,11-trioxatetracyclo[10.2.1.02,10.04,8]pentadeca-2,4(8),9-triene-13-carbonyl]pyrrolidin-2-yl]-3-methylbutanamide
|
644.70
|
3.9
|
3
|
9
|
136.02
|
8
|
|
|
2-(dimethylamino)-N-[1-[(13Z)-16-methoxy-10-(2-methylpropyl)-8,11-dioxo-2-oxa-6,9,12-triazatricyclo[13.3.1.03,7]nonadeca-1(19),13,15,17-tetraen-6-yl]-4-methyl-1-oxopentan-2-yl]-4-methylpentanamide
|
627.80
|
5
|
3
|
7
|
129.31
|
11
|
|
|
(2S)-2-[(1S)-1-[(4S,5R,6S,8S,9S,10R,13S,14S,17R)-6-[[(4S,5R,6S,8S,9S,10R,13S,14S,17R)-4,5-dihydroxy-17-[(1S)-1-[(2S)-5-(hydroxymethyl)-4-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-10,13-dimethyl-1-oxo-6,7,8,9,11,12,14,15,16,17-decahydro-4H-cyclopenta[a]phenanthren-6-yl]sulfanyl]-4,5-dihydroxy-10,13-dimethyl-1-oxo-6,7,8,9,11,12,14,15,16,17-decahydro-4H-cyclopenta[a]phenanthren-17-yl]ethyl]-5-(hydroxymethyl)-4-methyl-2,3-dihydropyran-6-one
|
975.30
|
7.5
|
6
|
13
|
233.42
|
8
|
|
|
(2S,3R,4R,5R,6S)-2-[(2R,3S,4S,5R,6R)-4-hydroxy-6-[(1S,2S,3'S,4S,5'S,6S,7S,8R,9S,12S,13R,16S)-3'-hydroxy-5'-(hydroxymethyl)-7,9,13-trimethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxy-2-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
901.00
|
-0.9
|
10
|
18
|
276.14
|
8
|
|
|
(2S,3R,4R,5R,6S)-2-[(2R,3S,4S,5R,6R)-4-hydroxy-6-[(1S,2S,3'S,4S,5'R,6S,7S,8R,9S,12S,13R,16S)-3'-hydroxy-5'-(hydroxymethyl)-7,9,13-trimethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxy-2-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
901.00
|
-0.9
|
10
|
18
|
276.14
|
8
|
|
|
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-[(2S)-9-hydroxy-7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl]propan-2-yloxy]oxan-2-yl]methyl (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
|
630.60
|
1.7
|
5
|
14
|
203.81
|
10
|
|
|
(2S)-N-[(2R)-1-[(1S,9S,10R,11S,12S)-1,12-dihydroxy-3,5-dimethoxy-9-(4-methoxyphenyl)-11-phenyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-10-carbonyl]pyrrolidin-2-yl]-2-methylbutanamide
|
630.70
|
4.2
|
3
|
8
|
126.79
|
9
|
|
|
(2R)-2-amino-3-[(5Z)-5-hydroxyimino-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpentyl]sulfanylpropanoic acid
|
414.50
|
-3.5
|
7
|
12
|
236.66
|
11
|
|
|
[(2R,3R)-8-[(2S)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethoxy]-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
|
632.50
|
1.4
|
11
|
17
|
293.59
|
8
|
|
|
methyl (2S)-2-acetyloxy-2-[(1S,5S,6R,7R,8R,9S,10R,11S,14R)-7,8-diacetyloxy-5-(furan-3-yl)-6,10,12,12,14-pentamethyl-16-methylidene-3-oxo-4,13,15-trioxatetracyclo[7.6.1.01,6.010,14]hexadecan-11-yl]acetate
|
632.70
|
1.9
|
0
|
13
|
163.1
|
10
|
|
|
[(1S,2R,4S,5R,6S,8R,10S,11S,12R,14R,15S,19R,20R,21S)-21-acetyloxy-6-(furan-3-yl)-4,12,19,20-tetrahydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.01,14.02,11.05,10.08,10]henicosan-16-yl] 2-methylbutanoate
|
632.70
|
1.1
|
4
|
12
|
185.49
|
7
|
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