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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
3-[(2S,3S,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
|
594.50
|
-0.4
|
9
|
15
|
249.2
|
6
|
|
|
[(2R,3S,4S,5R,6S)-6-[(2S,3R,4R,5S,6R)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate
|
636.60
|
-0.4
|
8
|
16
|
255.27
|
8
|
|
|
(2S)-2-methyl-4-[(2R,6S,10R,13S)-2,6,10,13-tetrahydroxy-13-[(2S,5S)-5-[(1S)-1-hydroxytridecyl]oxolan-2-yl]tridecyl]-2H-furan-5-one
|
612.90
|
7.3
|
5
|
8
|
136.68
|
26
|
|
|
(2S)-4-[(2R)-2-hydroxy-7-[(2R,5R)-5-[(1R,2R,4S,5R)-1,2,4,5-tetrahydroxynonadecyl]oxolan-2-yl]heptyl]-2-methyl-2H-furan-5-one
|
612.90
|
7.8
|
5
|
8
|
136.68
|
26
|
|
|
(2S)-4-[(2R)-2-hydroxy-9-[(2R,5R)-5-[(1S,4R,5S)-1,4,5-trihydroxyheptadecyl]oxolan-2-yl]nonyl]-2-methyl-2H-furan-5-one
|
596.90
|
8.8
|
4
|
7
|
116.45
|
26
|
|
|
(2R)-4-[(2S)-2-hydroxy-7-[(2S,5S)-5-[(1R,4S,5R,10R)-1,4,5,10-tetrahydroxynonadecyl]oxolan-2-yl]heptyl]-2-methyl-2H-furan-5-one
|
612.90
|
6.9
|
5
|
8
|
136.68
|
26
|
|
|
(2S)-4-[(2S)-2-hydroxy-7-[(2R,5S)-5-[(1R,4S,5R,6S)-1,4,5,6-tetrahydroxynonadecyl]oxolan-2-yl]heptyl]-2-methyl-2H-furan-5-one
|
612.90
|
7.6
|
5
|
8
|
136.68
|
26
|
|
|
(5S)-5-Methyl-3-(11Z,15Z)-11,15-triacontadien-1-yl-2(5H)-furanone
|
514.90
|
14.7
|
0
|
2
|
26.3
|
27
|
|
|
(5S)-3-(13Z,17Z)-13,17-Dotriacontadien-1-yl-5-methyl-2(5H)-furanone
|
542.90
|
15.8
|
0
|
2
|
26.3
|
29
|
|
|
(2S,3R)-3-[(2S,9R,15R)-9,15-dimethylheptadecan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
|
554.80
|
11.1
|
3
|
6
|
96.22
|
17
|
|
|
(1S,4aS,7S,7aS)-7-hydroxy-7-methyl-1-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid
|
376.36
|
-2
|
6
|
10
|
166.14
|
4
|
|
|
5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
|
626.50
|
-1.6
|
11
|
17
|
289.66
|
6
|
|
|
rel-(I+/-S)-I+/--[(1R)-1-[4-[(1E)-3-Hydroxy-1-propen-1-yl]-2,6-dimethoxyphenoxy]ethyl]-3,4,5-trimethoxybenzenemethanol
|
434.50
|
2.8
|
2
|
8
|
95.84
|
11
|
|
|
rel-(I+/-S)-I+/--[(1R)-1-[4-[(1E)-3-Hydroxy-1-propen-1-yl]-2,6-dimethoxyphenoxy]ethyl]-3,4-dimethoxybenzenemethanol
|
404.50
|
2.8
|
2
|
7
|
86.61
|
10
|
|
|
(2E,4E)-N-[(2R)-butan-2-yl]deca-2,4-dienamide
|
223.35
|
4.4
|
1
|
1
|
29.1
|
8
|
|
|
[(2S,3R,4R,5R,6R)-4,5-dihydroxy-2-methyl-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-[7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-5-[(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-3-yl]oxyoxan-2-yl]methoxy]oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
|
947.90
|
|
12
|
22
|
354.2
|
15
|
|
|
(1S,4aS,7S,7aS)-1-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-3-(4-hydroxybenzoyl)oxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-hydroxy-7-methyl-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid
|
496.50
|
-0.1
|
6
|
12
|
192.44
|
7
|
|
|
4-[2-[(1R,4aS,5R,8aS)-5,8a-dimethyl-2-methylidene-5-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]-2H-furan-5-one
|
480.60
|
2.6
|
4
|
8
|
125.68
|
7
|
|
|
(2S)-7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one
|
610.60
|
-0.5
|
8
|
15
|
234.29
|
7
|
|
|
(2R)-7-hydroxy-2-(4-hydroxy-2-methoxyphenyl)-8-[(2S)-5-hydroxy-5-methyl-2-prop-1-en-2-ylhexyl]-5-methoxy-2,3-dihydrochromen-4-one
|
470.60
|
4.6
|
3
|
7
|
105.45
|
9
|
|
|
(2R)-5,7-dihydroxy-2-[(2S,3S)-7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1-benzofuran-4-yl]-2,3-dihydrochromen-4-one
|
466.40
|
2.6
|
5
|
9
|
145.91
|
4
|
|
|
(2R)-2-[(E)-dec-1-enyl]tetradecanoic acid
|
366.60
|
10.8
|
1
|
2
|
37.3
|
20
|
|
|
5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
|
594.50
|
-0.9
|
9
|
15
|
249.2
|
6
|
|
|
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-4-hydroxy-5-[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-3-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)-2-[(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,16S,18S)-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-6-methyloxane-3,4,5-triol
|
1151.30
|
-1.4
|
13
|
25
|
373.75
|
12
|
|
|
methyl 2-[(1S,2S,4S,6S,9R,10R,11R,15S,18R)-6-(furan-3-yl)-7,9,11,15-tetramethyl-12,16-dioxo-3,17-dioxapentacyclo[9.6.1.02,9.04,8.015,18]octadeca-7,13-dien-10-yl]acetate
|
466.50
|
2.2
|
0
|
7
|
92.04
|
4
|
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