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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Epiafzelechin-(4beta->8)-epicatechin
|
562.50
|
2.7
|
9
|
11
|
200.53
|
3
|
|
|
(2S,3S)-8-[(2S,3S,4S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
|
562.50
|
2.7
|
9
|
11
|
200.53
|
3
|
|
|
(2R,3R,4S,5S,6R)-2-[[(2R,3R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
436.40
|
0.2
|
7
|
10
|
169.3
|
4
|
|
|
(2S,3S)-2-(3,4-dihydroxyphenyl)-8-[(2S,3S,4S)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
|
562.50
|
2.7
|
9
|
11
|
200.53
|
3
|
|
|
(2S,3S)-2-(3,4-dihydroxyphenyl)-8-[(2R,3R,4R)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
|
562.50
|
2.7
|
9
|
11
|
200.53
|
3
|
|
|
(2R,3R)-2-(3,4-dihydroxyphenyl)-8-[(2S,3S,4S)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
|
562.50
|
2.7
|
9
|
11
|
200.53
|
3
|
|
|
(2R,3R)-8-[(2S,4R)-7-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
|
514.50
|
4.4
|
6
|
8
|
139.84
|
3
|
|
|
(2R,3R)-8-[(2S,4S)-7-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
|
514.50
|
4.4
|
6
|
8
|
139.84
|
3
|
|
|
(2R,3R)-6-[(2S,4R)-7-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
|
514.50
|
4.4
|
6
|
8
|
139.84
|
3
|
|
|
(2R,3R)-6-[(2S,4S)-7-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
|
514.50
|
4.4
|
6
|
8
|
139.84
|
3
|
|
|
Hept-1-EN-2-OL
|
114.19
|
2.7
|
1
|
1
|
20.23
|
4
|
|
|
hydroxy-[(E)-prop-1-enyl]-sulfanylidene-lambda4-sulfane
|
122.21
|
3.1
|
1
|
3
|
71.53
|
1
|
|
|
Apigenin 7-sulfate
|
350.30
|
1.1
|
3
|
8
|
142.65
|
3
|
|
|
Luteolin 7-sulfate
|
366.30
|
0.8
|
4
|
9
|
162.88
|
3
|
|
|
Kaempferol 7-O-sulfate
|
366.30
|
1.3
|
4
|
9
|
162.88
|
3
|
|
|
2,14-Dioxapentacyclo[20.2.2.210,13.13,7.115,19]triaconta-1(24),3,5,7(30),10,12,15,17,19(27),22,25,28-dodecaene-4,12-diol
|
424.50
|
6.8
|
2
|
4
|
58.92
|
0
|
|
|
Homoedudiol
|
324.40
|
4.2
|
2
|
4
|
58.92
|
2
|
|
|
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)-8-methoxychromen-4-one
|
640.50
|
-0.9
|
10
|
17
|
278.66
|
8
|
|
|
Aceneuramic acid
|
309.27
|
-4.2
|
7
|
9
|
184.62
|
9
|
|
|
10,13-dimethyl-17-(6-methyl-5-methylideneheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
|
400.70
|
9.4
|
1
|
1
|
20.23
|
5
|
|
|
4-Methoxy-1-benzofuran-5-carboxylic acid
|
192.17
|
1.8
|
1
|
4
|
59.67
|
2
|
|
|
5,7-Dihydroxy-2-(4-hydroxyphenyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
|
448.40
|
0.5
|
7
|
11
|
190.28
|
4
|
|
|
15-Hydroxy-7-oxodehydroabietic acid
|
330.40
|
3.1
|
2
|
4
|
74.6
|
2
|
|
|
Rhaphidecursinol B
|
418.50
|
4.1
|
1
|
7
|
75.61
|
11
|
|
|
Fragransol C
|
356.40
|
3.5
|
1
|
5
|
57.15
|
6
|
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