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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(1R,2R)-1,6-dihydroxy-2-(2-hydroxypropan-2-yl)-2,7-dihydro-1H-pyrano[3,4-c]carbazol-4-one
|
327.30
|
2.4
|
4
|
5
|
102.78
|
1
|
|
|
(1S,4S,5R,9S,10R,12S,13R)-12-hydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
|
318.40
|
3.9
|
2
|
3
|
57.53
|
1
|
|
|
[(1S,3R,13S,14S,17S,18R,19R,20R,21S,22S,23R,24R,25S)-19,21,24-triacetyloxy-18,22,25-trihydroxy-3,13,14,25-tetramethyl-6,15-dioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.01,20.03,23.07,12]pentacosa-7(12),8,10-trien-20-yl]methyl acetate
|
721.70
|
-0.7
|
3
|
17
|
240.61
|
9
|
|
|
Gibberellin A113
|
346.40
|
1.7
|
2
|
5
|
83.83
|
1
|
|
|
(1R,2R,5R,8R,9S,10R,11S,12S,13S)-12,13-dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid
|
348.40
|
0.7
|
3
|
6
|
104.06
|
1
|
|
|
ethyl (1R,2R,5S,8S,9S,10R,11R)-5-hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylate
|
360.40
|
1.9
|
1
|
5
|
72.83
|
3
|
|
|
(2S,3S,4S,5R,6S)-6-[2-[4-[(2S,3R,4S,5S,6R)-6-(3-carboxypropanoyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]-5-hydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
|
708.60
|
-1.2
|
9
|
19
|
309.64
|
12
|
|
|
(6R,7S,8S)-8-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-bis(hydroxymethyl)-1,3-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-ol
|
420.50
|
2
|
4
|
8
|
117.84
|
7
|
|
|
(2S,3S)-1-(3-hydroxy-4-methoxyphenyl)-2-(4-methoxyphenyl)butane-1,3-diol
|
318.40
|
2.2
|
3
|
5
|
79.15
|
6
|
|
|
[(2R,3S,4S,5R,6R)-6-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-7-oxo-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl hexadecanoate
|
829.20
|
14
|
3
|
8
|
122.52
|
25
|
|
|
1,8-Dihydroxy-3-methoxy-6-methyl-2-(2,5,10-trihydroxy-7-methoxy-2-methyl-4-oxo-1,3-dihydroanthracen-9-yl)anthracene-9,10-dione
|
570.50
|
5
|
5
|
10
|
170.82
|
3
|
|
|
(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[(3R,25S,27R)-3,25,27-trihydroxyoctacosoxy]oxane-3,4,5-triol
|
620.90
|
7.8
|
7
|
9
|
160.07
|
29
|
|
|
(2R,26R)-2,26-dihydroxy-28-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctacosan-4-one
|
618.90
|
7.3
|
6
|
9
|
156.91
|
29
|
|
|
(2R,26R)-2,26-dihydroxy-28-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctacosan-4-one
|
618.90
|
7.3
|
6
|
9
|
156.91
|
29
|
|
|
(8S)-5-hydroxy-8-(8-hydroxy-2,2-dimethylchromen-6-yl)-2,2-dimethyl-10-(3-methylbut-2-enyl)-7,8-dihydropyrano[3,2-g]chromen-6-one
|
488.60
|
6.5
|
2
|
6
|
85.22
|
3
|
|
|
(2S)-5-hydroxy-2-(8-hydroxy-2,2-dimethylchromen-6-yl)-8,8-dimethyl-6-(3-methylbut-2-enyl)-2,3-dihydropyrano[2,3-h]chromen-4-one
|
488.60
|
6.5
|
2
|
6
|
85.22
|
3
|
|
|
3-[(2R,3R,4S,5S,6R)-2-(2-carboxyacetyl)oxy-5-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3-oxopropanoic acid
|
621.50
|
|
8
|
16
|
278.34
|
12
|
|
|
11-Hydroxy-5-methoxy-2,2,9-trimethylnaphtho[3,2-h]chromene-7,12-dione
|
350.40
|
4.3
|
1
|
5
|
72.83
|
1
|
|
|
(1R,2S,5R,8S,9R,12R,17R,18R,21S,24R,26S,27R)-5,12-dihydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.2.01,5.02,24.08,17.09,14.018,27.021,26]nonacosa-13,15-diene-4,10,22,29-tetrone
|
526.50
|
-0.1
|
2
|
10
|
145.66
|
0
|
|
|
(2S,3R,4S,5R)-2-[[(1S,2R,3S,4R,7R,9S,12R,14S,17R,18R,19R,21R,22S)-22-(2-chloropropan-2-yl)-2-hydroxy-3,8,8,17,19-pentamethyl-23,24-dioxaheptacyclo[19.2.1.01,18.03,17.04,14.07,12.012,14]tetracosan-9-yl]oxy]oxane-3,4,5-triol
|
639.30
|
5
|
4
|
8
|
117.84
|
3
|
|
|
(2R,3S,4S)-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(hydroxymethyl)oxolan-3-ol
|
406.40
|
1.3
|
4
|
8
|
117.84
|
7
|
|
|
(1s,2r,3s,5r)-3-Hydroxy-2-methyl-5-(2-oxoethyl)-cyclopentanecarboxylic acid methyl ester
|
200.23
|
0.1
|
1
|
4
|
63.6
|
4
|
|
|
5,7,8,4'-Tetrahydroxy-6,3'-dimethoxy isoflavone
|
346.30
|
2.3
|
4
|
8
|
129.59
|
3
|
|
|
5,7,8,4'-Tetrahydroxy-6-methoxy isoflavone
|
316.26
|
2.3
|
4
|
7
|
120.36
|
2
|
|
|
[(2S,5S,6R,7S,9S,11R,13S)-9,11-dihydroxy-13-(methoxymethyl)-5,9,13-trimethyl-4-oxo-3,12-dioxatricyclo[8.3.0.02,6]tridec-1(10)-en-7-yl] (Z)-2-methylbut-2-enoate
|
410.50
|
-0.2
|
2
|
8
|
111.52
|
5
|
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