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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
2,6-Dihydroxyphenazine-1-carboxylic acid
|
256.21
|
2
|
3
|
6
|
103.54
|
1
|
|
|
2,3,7-Trihydroxyphenazine-1,6-dicarboxylic acid
|
316.22
|
1.7
|
5
|
9
|
161.07
|
2
|
|
|
Conduritol B
|
146.14
|
-2.1
|
4
|
4
|
80.92
|
0
|
|
|
Durohydroquinone
|
166.22
|
1.8
|
2
|
2
|
40.46
|
0
|
|
|
2,5-Dihydro-1-methylpyrrole
|
83.13
|
0.5
|
0
|
1
|
3.24
|
0
|
|
|
[(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 1-[(2R,3R)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyl)oxy-3,4-dihydro-2H-chromen-2-yl]-3,4,6-trihydroxy-5-oxobenzo[7]annulene-8-carboxylate
|
852.70
|
5.2
|
12
|
19
|
330.89
|
8
|
|
|
5-Hydroxyl methyl furfural
|
126.11
|
1.1
|
1
|
3
|
50.44
|
1
|
|
|
8-Hydroxy-6-methoxy-pentylisocoumarin
|
262.30
|
4.3
|
1
|
4
|
59.67
|
5
|
|
|
Methyltartronic acid
|
134.09
|
-1
|
3
|
5
|
94.83
|
2
|
|
|
5-Hydroxy-3,6,7,8,3',4'-hexamethoxyflavone
|
418.40
|
3.4
|
1
|
9
|
105.82
|
7
|
|
|
4',7-Dimethoxyisoflavone
|
282.29
|
3.1
|
0
|
4
|
48.67
|
3
|
|
|
4'-Ethylacetophenone
|
148.20
|
2.5
|
0
|
1
|
17.07
|
2
|
|
|
Butane, 1-methoxy-3-methyl-
|
102.17
|
1.8
|
0
|
1
|
9.23
|
3
|
|
|
Corymboside
|
564.50
|
-2.2
|
10
|
14
|
250.97
|
4
|
|
|
Vicenin-1
|
564.50
|
-2.2
|
10
|
14
|
250.97
|
4
|
|
|
L-Mannitol
|
182.17
|
-3.1
|
6
|
6
|
121.38
|
5
|
|
|
5-Hydroxy-2-(4-hydroxyphenyl)-3,7-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]chromen-4-one
|
610.50
|
-1.1
|
10
|
16
|
269.43
|
7
|
|
|
5-Hydroxy-2-(4-hydroxyphenyl)-3,7-bis(((3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-4-one
|
610.50
|
-1.1
|
10
|
16
|
269.43
|
7
|
|
|
3-[4,5-Dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
|
610.50
|
-0.9
|
10
|
16
|
269.43
|
7
|
|
|
(6S)-5,5-dimethyl-1-methylidenespiro[5.5]undec-9-ene-9-carboxylic acid
|
234.33
|
4
|
1
|
2
|
37.3
|
1
|
|
|
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[(2R,3R)-3-(hydroxymethyl)-5-[(E)-3-hydroxyprop-1-enyl]-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenoxy]oxane-3,4,5-triol
|
520.50
|
0.1
|
6
|
11
|
167.53
|
9
|
|
|
(2R,3R,4S,5S,6R)-2-[[(2S,3R)-2-(4-hydroxy-3-methoxyphenyl)-5-[(E)-3-hydroxyprop-1-enyl]-7-methoxy-2,3-dihydro-1-benzofuran-3-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
520.50
|
0.3
|
6
|
11
|
167.53
|
9
|
|
|
(2R,3R,4S,5S,6R)-2-[[(2R,3S)-2-(4-hydroxy-3-methoxyphenyl)-5-[(E)-3-hydroxyprop-1-enyl]-7-methoxy-2,3-dihydro-1-benzofuran-3-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
520.50
|
0.3
|
6
|
11
|
167.53
|
9
|
|
|
Dimethyl peroxide
|
62.07
|
0.1
|
0
|
2
|
18.46
|
1
|
|
|
3-Hydroxycoumarin
|
162.14
|
1.8
|
1
|
3
|
50.44
|
0
|
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