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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[(3aR,4aS,8R,8aR,9aR)-5,8a-dimethyl-3-methylidene-2,7-dioxo-3a,4,4a,8,9,9a-hexahydrobenzo[f][1]benzofuran-8-yl] acetate
|
304.34
|
1.8
|
0
|
5
|
69.67
|
2
|
|
|
Sucrose 1'-benzoate
|
446.40
|
-2
|
7
|
12
|
195.6
|
8
|
|
|
(10E,12E,14R)-14-hydroxy-9-oxooctadeca-10,12-dienoic acid
|
310.40
|
3.8
|
2
|
4
|
74.6
|
14
|
|
|
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(1S,2S)-2-hydroxy-1-methyl-4-propan-2-ylcyclohex-3-en-1-yl]oxyoxane-3,4,5-triol
|
332.39
|
-0.7
|
5
|
7
|
119.61
|
4
|
|
|
5-hydroxy-2-(3-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
|
432.40
|
0.9
|
6
|
10
|
170.05
|
4
|
|
|
(2R,3R,4S,5S,6R)-2-[[(2R,3S,4R)-4-[(S)-hydroxy-(4-hydroxy-3-methoxyphenyl)methyl]-2-(4-hydroxy-3-methoxyphenyl)oxolan-3-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
538.50
|
-0.3
|
7
|
12
|
187.76
|
9
|
|
|
(1S,4S,5R,8S,13S,14R,16S,18S)-11-[2-[[(1S,5R,9R,13R,14R,15R,16R)-7-ethyl-14-hydroxy-5-methyl-7-azahexacyclo[7.6.2.210,13.01,8.05,16.010,15]nonadec-11-en-12-yl]methoxy]ethyl]-5-methyl-17-methylidene-9-oxa-11-azahexacyclo[14.2.2.01,14.04,13.05,10.08,13]icosan-18-ol
|
685.00
|
5.8
|
2
|
6
|
65.4
|
6
|
|
|
(2R,3R,4S,5S,6R)-2-[[(1R,2R,4aR,10aS)-8-ethenyl-2,6-dihydroxy-1,4a,7-trimethyl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
478.60
|
2.4
|
6
|
8
|
139.84
|
5
|
|
|
Cis-7-chloro-4-hydroxymellein
|
228.63
|
2
|
2
|
4
|
66.76
|
0
|
|
|
7-Chloromellein-5-ol
|
228.63
|
2.7
|
2
|
4
|
66.76
|
0
|
|
|
7-Chloroscytalone
|
228.63
|
1.5
|
3
|
4
|
77.76
|
0
|
|
|
[(1S,2R,3E,5R,7S,9E,11S,14S,15R,16S)-16-benzyl-5-hydroxy-13-(hydroxymethyl)-5,7,14-trimethyl-6,18-dioxo-17-azatricyclo[9.7.0.01,15]octadeca-3,9,12-trien-2-yl] acetate
|
507.60
|
2.6
|
3
|
6
|
112.93
|
5
|
|
|
Crotophorbolone
|
346.40
|
0.5
|
3
|
5
|
94.83
|
2
|
|
|
[3-(5,7-Dihydroxy-4-oxochromen-2-yl)phenyl] heptacosanoate
|
662.90
|
15.1
|
2
|
6
|
96.97
|
28
|
|
|
5-formyl-2-methoxyphenyl beta-D-glucopyranoside
|
314.29
|
-1.6
|
4
|
8
|
125.68
|
5
|
|
|
Caffeic acid 3-sulfate
|
260.22
|
0.6
|
3
|
7
|
129.51
|
4
|
|
|
(4S,4aS,7S)-4-hydroxy-4a-methyl-7-prop-1-en-2-yl-3,4,5,6,7,8-hexahydro-2H-naphthalene-1-carbaldehyde
|
234.33
|
2.6
|
1
|
2
|
37.3
|
2
|
|
|
(1R,4aS,5S,8R,8aR)-5-methyl-2-methylidene-8-propan-2-yl-1,3,4,4a,6,7,8,8a-octahydronaphthalene-1,5-diol
|
238.37
|
2.4
|
2
|
2
|
40.46
|
1
|
|
|
methyl (1S,4aS,5S,7aS)-7-(hydroxymethyl)-5-methoxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
|
418.40
|
-2.9
|
5
|
11
|
164.37
|
7
|
|
|
(1R,4R)-3,3,5-trimethyl-2-oxabicyclo[2.2.2]oct-5-en-4-ol
|
168.23
|
0.5
|
1
|
2
|
29.46
|
0
|
|
|
(1R,4R)-4-methoxy-3,3,5-trimethyl-2-oxabicyclo[2.2.2]oct-5-ene
|
182.26
|
1.1
|
0
|
2
|
18.46
|
1
|
|
|
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,4aR,6aR,6aS,6bR,8aR,9S,10R,11R,12aS,14bS)-1,10,11-trihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-4a-carboxylate
|
680.80
|
1.6
|
8
|
12
|
214.44
|
5
|
|
|
3-[(1S,4R,5R,6S,9R)-5,10-dimethyl-4-prop-1-en-2-yl-5-tricyclo[7.2.1.01,6]dodec-10-enyl]propanoic acid
|
302.50
|
5.4
|
1
|
2
|
37.3
|
4
|
|
|
(6R)-6-[(1S,3R,6S,8R,10S,11S,12S,14S,15R,16R)-6,14-dihydroxy-7,7,12,16-tetramethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]-2-hydroxy-2-methylheptan-3-one
|
652.90
|
2.9
|
7
|
10
|
177.14
|
8
|
|
|
(2R,3R,4S,5S,6R)-2-[[(1S,3R,6S,8R,10S,11S,12S,14S,15R,16R)-15-[(2R,5S)-5,6-dihydroxy-6-methylheptan-2-yl]-6,14-dihydroxy-7,7,12,16-tetramethyl-10-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
654.90
|
3
|
8
|
10
|
180.3
|
8
|
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