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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
3alpha,6alpha-Epoxy-4beta,5beta,27-trihydroxy-1-oxowitha-24-enolide
|
488.60
|
2.8
|
3
|
7
|
113.29
|
3
|
|
|
28-Homobrassinolide
|
494.70
|
5.2
|
4
|
6
|
107.22
|
6
|
|
|
(2R)-N-[(6S,7S,8R,11R,12S,15S,16R)-15-[(1S)-1-(dimethylamino)ethyl]-7-(hydroxymethyl)-7,12,16-trimethyl-6-tetracyclo[9.7.0.03,8.012,16]octadeca-1(18),2-dienyl]-2-hydroxy-3-methylpentanamide
|
514.80
|
6
|
3
|
4
|
72.8
|
7
|
|
|
Methyl isobutyrate
|
102.13
|
1.2
|
0
|
2
|
26.3
|
2
|
|
|
(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4,7,8,9,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-11-one
|
576.80
|
5.6
|
4
|
7
|
116.45
|
8
|
|
|
2,9-Dimethyldecan-5-one
|
184.32
|
3.7
|
0
|
1
|
17.07
|
7
|
|
|
6-[(2R,4R,5S,6S)-4,5-dihydroxy-6-methyloxan-2-yl]-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
|
592.50
|
-0.2
|
8
|
14
|
228.97
|
6
|
|
|
Capsanthin 5,6-epoxide
|
600.90
|
10
|
2
|
4
|
70.06
|
11
|
|
|
Galphimidin
|
620.80
|
2.5
|
4
|
10
|
159.82
|
7
|
|
|
(2R,3R,4S,5S,6R)-2-[[(1S,3R,6S,8R,11S,12S,14S,15R,16S)-14-hydroxy-16-(hydroxymethyl)-15-[(2S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12-trimethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
652.90
|
2.7
|
7
|
10
|
169.3
|
6
|
|
|
(3S,4S)-4-[(2S)-3-carboxy-1-oxo-1-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(3,4,5-trihydroxybenzoyl)oxyoxan-2-yl]methoxy]propan-2-yl]-5,6,7-trihydroxy-1-oxo-3,4-dihydroisochromene-3-carboxylic acid
|
670.50
|
-2
|
11
|
20
|
344.8
|
11
|
|
|
7-O-(4-beta-D-glucopyranosyloxy-3-methoxybenzoyl)secologanolic acid
|
688.60
|
-1.7
|
9
|
18
|
280.82
|
14
|
|
|
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-2-[(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S,18S,19S)-16-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-19-yl]oxy-6-methyloxan-4-yl]oxy-6-methyloxane-3,4,5-triol
|
724.90
|
3
|
6
|
12
|
176.76
|
4
|
|
|
Galphin C
|
732.80
|
3.6
|
1
|
14
|
190.56
|
11
|
|
|
Methyl lactate
|
104.10
|
-0.1
|
1
|
3
|
46.53
|
2
|
|
|
[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] hexacosanoate
|
793.40
|
22.7
|
0
|
2
|
26.3
|
32
|
|
|
[(2R,3S,4S,5R,6S)-6-[(2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (Z)-3-(4-hydroxyphenyl)prop-2-enoate
|
934.80
|
-1.1
|
14
|
24
|
395.11
|
14
|
|
|
(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,16S,18S)-16-[(2R,3R,4R,5R,6R)-5-[(2S,3R,4S,5R,6R)-3-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-10-one
|
1195.30
|
-3.1
|
14
|
27
|
411.05
|
13
|
|
|
Dtsufarfcgsjau-ieafzcgxsa-
|
1487.40
|
-0.4
|
14
|
36
|
525.48
|
33
|
|
|
1,6-Octadien-3-ol
|
126.20
|
1.9
|
1
|
1
|
20.23
|
4
|
|
|
(S)-5-((R)-1-Hydroxyethyl)dihydrofuran-2(3H)-one
|
130.14
|
0
|
1
|
3
|
46.53
|
1
|
|
|
(2S,5S)-5-Hydroxypiperidine-2-carboxylic acid
|
145.16
|
-3
|
3
|
4
|
69.56
|
1
|
|
|
Methyl (E)-2-octenoate
|
156.22
|
3
|
0
|
2
|
26.3
|
6
|
|
|
methyl (5S,7S)-5,7-dihydroxyoctanoate
|
190.24
|
0.3
|
2
|
4
|
66.76
|
7
|
|
|
6-methyl-9H-carbazol-3-ol
|
197.23
|
3.4
|
2
|
1
|
36.02
|
0
|
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