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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(3R,3aS,7aS)-7a-methyl-3-[(2S)-6-methylhept-5-en-2-yl]-2,3,6,7-tetrahydro-1H-indene-3a,4-dicarbaldehyde
|
302.50
|
5.2
|
0
|
2
|
34.14
|
6
|
|
|
8-Formyl-5,12-dihydroxy-4-methyl-13-oxotetracyclo[10.2.1.01,9.03,8]pentadecane-4-carboxylic acid
|
336.40
|
0.3
|
3
|
6
|
111.9
|
2
|
|
|
1,3-Dihydroxy-7-(7-hydroxy-3,7-dimethylocta-2,5-dienoxy)xanthen-9-one
|
396.40
|
4.6
|
3
|
6
|
100.13
|
6
|
|
|
[3,4,5-Trihydroxy-6-[2-(4-hydroxyphenyl)-4-oxo-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-7-yl]oxyoxan-2-yl]methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
|
754.70
|
-0.1
|
9
|
17
|
275.5
|
11
|
|
|
5-(1-Hydroxy-3-oxobutyl)-6,11-dimethyl-4,9-dioxatricyclo[6.3.0.03,5]undecan-10-one
|
282.33
|
0.6
|
1
|
5
|
76.13
|
3
|
|
|
(1R,3R,5R,6S,8R,11S)-5-[(1S)-1-hydroxy-3-oxobutyl]-6,11-dimethyl-4,9-dioxatricyclo[6.3.0.03,5]undecan-10-one
|
282.33
|
0.6
|
1
|
5
|
76.13
|
3
|
|
|
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-7-sulfooxychromen-3-yl]oxyoxane-2-carboxylic acid
|
542.40
|
0.4
|
7
|
15
|
259.1
|
6
|
|
|
(10S)-nonacosane-1,10-diol
|
440.80
|
12.4
|
2
|
2
|
40.46
|
27
|
|
|
(7R,8R,9S)-7,8,9-trihydroxy-12-oxohexadec-10-enoic acid
|
316.39
|
0.8
|
4
|
6
|
115.06
|
13
|
|
|
(2S)-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
|
308.40
|
4.5
|
1
|
3
|
46.53
|
3
|
|
|
[(2S)-3-hydroxy-2-icos-11-enoyloxypropyl] icosanoate
|
679.10
|
17.4
|
1
|
5
|
72.83
|
41
|
|
|
methyl 2-[(1R,3R,7R,8S,10R,12R,13R)-13-(furan-3-yl)-6,6,8,12-tetramethyl-17-methylidene-5,9,15-trioxo-2,14-dioxatetracyclo[8.6.1.01,12.03,8]heptadecan-7-yl]acetate
|
484.50
|
1.6
|
0
|
8
|
109.11
|
4
|
|
|
2,3,6,7-Tetramethoxy-9,11,12,13-tetrahydrophenanthro[9,10-f]indolizine
|
391.50
|
4.9
|
0
|
5
|
40.16
|
4
|
|
|
5-[6-[(2-carboxyacetyl)oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-1H-indole-3-carboxylic acid
|
425.30
|
-0.9
|
6
|
11
|
195.84
|
8
|
|
|
(2R,3R,4S,5S,6R)-2-[(3S,4R)-6-hydroxy-3,4-bis(4-hydroxy-3-methoxyphenyl)hexoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
524.60
|
0.7
|
7
|
11
|
178.53
|
12
|
|
|
[(1S,2S,5S)-4,6,6-trimethyl-7-oxo-2-bicyclo[3.1.1]hept-3-enyl] acetate
|
208.25
|
1.2
|
0
|
3
|
43.37
|
2
|
|
|
(23S)-23-hydroxytriacontan-6-one
|
452.80
|
12.2
|
1
|
2
|
37.3
|
27
|
|
|
[(1S,2R,4R,5S,7E,11S)-4,8-dimethyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-5-yl] (2R)-2-methylbutanoate
|
348.40
|
3.3
|
0
|
5
|
65.13
|
4
|
|
|
[(3aR,4R,6Z,8S,10E,11aS)-8-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (Z)-4-acetyloxy-2-methylbut-2-enoate
|
404.50
|
1.8
|
1
|
7
|
99.13
|
6
|
|
|
[(3aR,4R,6E,8R,10E,11aR)-8-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (Z)-4-acetyloxy-2-methylbut-2-enoate
|
404.50
|
1.8
|
1
|
7
|
99.13
|
6
|
|
|
5-hydroxy-2,2-dimethyl-10-[2-[(2S)-oxiran-2-yl]propan-2-yl]pyrano[3,2-g]chromen-8-one
|
328.40
|
3.3
|
1
|
5
|
72.2
|
2
|
|
|
15-hydroxy-9,9,14,18-tetramethyl-19-(4-methyl-5-oxo-2H-furan-2-yl)-4,8,20,24-tetraoxaheptacyclo[13.8.1.01,13.03,7.03,10.014,21.017,21]tetracosane-5,16-dione
|
528.60
|
1.7
|
1
|
9
|
117.59
|
1
|
|
|
(2R)-N-[(Z,2S,3S,4R)-3,4-dihydroxy-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadec-8-en-2-yl]-2-hydroxypentacosanamide
|
858.30
|
13.8
|
8
|
10
|
189.17
|
42
|
|
|
(2R)-4-[(E)-2-[(1S,4R,4aS,8aR)-4-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethenyl]-2-hydroxy-2H-furan-5-one
|
332.40
|
3.7
|
2
|
4
|
66.76
|
2
|
|
|
(5R)-3-methyl-10-[(4E)-4-(4-methyl-5-oxofuran-2-ylidene)butyl]-1-oxa-10-azaspiro[4.5]dec-3-en-2-one
|
317.40
|
2.9
|
0
|
5
|
55.84
|
4
|
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