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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(6S,7Ar)-2-[(2E,4E,6E,8E,10E,12E,14E,16E)-17-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-6,11,15-trimethylheptadeca-2,4,6,8,10,12,14,16-octaen-2-yl]-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-6-ol
|
584.90
|
10
|
2
|
3
|
49.69
|
9
|
|
|
(5Z)-5-[(2E,4E,6E,8E)-11-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-2,9-dimethylundeca-2,4,6,8-tetraen-10-ynylidene]-3-[(E)-2-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]ethenyl]furan-2-one
|
570.80
|
7.3
|
2
|
5
|
79.29
|
8
|
|
|
Capsanthone-3,6-epoxide
|
598.90
|
9.6
|
1
|
4
|
63.6
|
11
|
|
|
(2R,3R,4S,5S,6S)-6-[[(3R,4aS,6aS,6bR,8aR,12aR,14aS,14bS)-4,4,6a,6b,11,11,14b-heptamethyl-8a-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxyoxane-2-carboxylic acid
|
927.10
|
2.8
|
10
|
18
|
291.82
|
10
|
|
|
4'-O-(2'-E-Feruloyl GluA(1-2)GluA) Apigenin
|
798.70
|
2
|
9
|
20
|
318.87
|
12
|
|
|
Methyl-mappain
|
462.60
|
8.8
|
3
|
4
|
69.92
|
10
|
|
|
17-(3,4-Dihydroxy-5,6-dimethylheptan-2-yl)-3-hydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one
|
448.70
|
5.7
|
3
|
4
|
77.76
|
5
|
|
|
Typhasterol
|
448.70
|
5.7
|
3
|
4
|
77.76
|
5
|
|
|
(3S,5S,8S,9S,10R,13R,14S,17R)-17-[(2S,3R,4R,5R)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-3-hydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one
|
448.70
|
5.7
|
3
|
4
|
77.76
|
5
|
|
|
(3R,5S,8S,9S,10R,13R,14S,17R)-17-[(2S,3R,4R,5S)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-3-hydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one
|
448.70
|
5.7
|
3
|
4
|
77.76
|
5
|
|
|
Teasterone
|
448.70
|
5.7
|
3
|
4
|
77.76
|
5
|
|
|
9-Methoxy-6-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-one
|
235.24
|
1.2
|
0
|
4
|
48
|
1
|
|
|
[(1R,3R,4R,6S,9S)-4-hydroxy-6-methyl-8-oxo-1-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-oxatricyclo[4.3.0.03,9]nonan-9-yl]methyl benzoate
|
480.50
|
-1
|
5
|
11
|
172.21
|
7
|
|
|
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,4S,5R,9S,10R,13S)-13-[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate
|
951.00
|
-2.3
|
13
|
22
|
353.9
|
12
|
|
|
[(2R,4S)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] (2R)-3-hydroxy-2-phenylpropanoate
|
303.35
|
0.9
|
1
|
5
|
62.3
|
5
|
|
|
(1S,4R,6R)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-ol
|
170.25
|
1.2
|
1
|
2
|
29.46
|
0
|
|
|
N-(3-Carboxy-2,3-dihydroxypropyl)-4-((carboxymethyl)amino)threonine
|
310.26
|
-8.3
|
8
|
11
|
196.65
|
11
|
|
|
Delphinidin 3-xyloside
|
435.40
|
|
8
|
10
|
191.6
|
4
|
|
|
(6S,7aR)-2-[(2E,4E,6E,8E,10E,12E,14E)-15-[(6S,7aR)-6-hydroxy-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-2-yl]-6,11-dimethylhexadeca-2,4,6,8,10,12,14-heptaen-2-yl]-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-6-ol
|
600.90
|
9
|
2
|
4
|
58.92
|
8
|
|
|
(3S,5S,9R,10S,13R,14R,17R)-17-[(5S)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
|
414.70
|
9.1
|
1
|
1
|
20.23
|
6
|
|
|
(2R,3S,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-5-hydroxy-6-(hydroxymethyl)-2-[[(1S,2S,7S,10R,11S,14S,15R,16S,17S,20S,23S)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-en-7-yl]oxy]-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
868.10
|
1.8
|
9
|
16
|
240.69
|
8
|
|
|
Halocynthiaxanthin acetate
|
640.90
|
9.4
|
1
|
5
|
76.13
|
13
|
|
|
1-(4-Ethylphenyl)ethanol
|
150.22
|
2.2
|
1
|
1
|
20.23
|
2
|
|
|
(9E,15E)-heptadec-9,15-trien-11,13-diyn-4-one
|
242.36
|
4.4
|
0
|
1
|
17.07
|
8
|
|
|
BBTOAc
|
192.24
|
2.2
|
0
|
3
|
54.54
|
3
|
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