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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Russulactarorufin
|
296.31
|
-0.6
|
3
|
6
|
104.06
|
1
|
|
|
Patuletin 3-(2''-apiosyl-[2'''-feruloylgentiobioside])
|
964.80
|
-0.8
|
13
|
25
|
393.34
|
16
|
|
|
[(2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxy-4-oxochromen-3-yl]oxy-5-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
|
948.80
|
-0.4
|
12
|
24
|
373.11
|
16
|
|
|
[(2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxy-4-oxochromen-3-yl]oxy-5-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
|
978.90
|
-0.4
|
12
|
25
|
382.34
|
17
|
|
|
[(2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
|
846.70
|
0.8
|
10
|
21
|
323.42
|
14
|
|
|
3-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxychromen-4-one
|
640.50
|
-0.9
|
10
|
17
|
278.66
|
8
|
|
|
[(4aR,5S,7R,8S)-8-[(5S)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-yl]-5-acetyloxy-7,8-dimethyl-4-methylidene-2,3,5,6,7,8a-hexahydro-1H-naphthalen-4a-yl]methyl acetate
|
420.50
|
4
|
0
|
6
|
71.06
|
6
|
|
|
(1S,4aS,5R,7aS)-7-(acetyloxymethyl)-5-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid
|
432.40
|
-3.2
|
6
|
12
|
192.44
|
7
|
|
|
Ara(a1-6)Glc(b)-O-EtPh
|
416.40
|
-2.2
|
6
|
10
|
158.3
|
7
|
|
|
4H-1-Benzopyran-4-one, 7-[[6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-2-[4-(beta-D-glucopyranosyloxy)phenyl]-2,3-dihydro-5-hydroxy-, (2S)-
|
742.70
|
-2.9
|
11
|
19
|
304.21
|
9
|
|
|
1,2,3,4,5-Cyclohexanepentol
|
164.16
|
-2.7
|
5
|
5
|
101.15
|
0
|
|
|
[(1R,5R,6S,7S,8S)-6-(3,4-dimethoxyphenyl)-3-methoxy-7-methyl-4-oxo-1-prop-2-enyl-8-bicyclo[3.2.1]oct-2-enyl] acetate
|
400.50
|
3.9
|
0
|
6
|
71.06
|
8
|
|
|
(1R,5R,6S,7S,8S)-7-(3,4-dimethoxyphenyl)-8-hydroxy-3-methoxy-6-methyl-5-prop-2-enylbicyclo[3.2.1]oct-3-en-2-one
|
358.40
|
3.3
|
1
|
5
|
64.99
|
6
|
|
|
[(1R,2R,7S,10S,12R,13S,14R,16S,19S,20S)-19-(furan-3-yl)-9,9,13,20-tetramethyl-5,11,17-trioxo-4,8,15,18-tetraoxahexacyclo[11.9.0.02,7.02,10.014,16.014,20]docosan-12-yl] (Z)-3-(4-hydroxyphenyl)prop-2-enoate
|
632.70
|
3.6
|
1
|
11
|
151.1
|
5
|
|
|
[(1R,2R,7S,10S,12R,13S,14R,16S,19S,20S)-19-(furan-3-yl)-9,9,13,20-tetramethyl-5,11,17-trioxo-4,8,15,18-tetraoxahexacyclo[11.9.0.02,7.02,10.014,16.014,20]docosan-12-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
|
632.70
|
3.6
|
1
|
11
|
151.1
|
5
|
|
|
(2S,3R,4R,5R,6S)-2-[(2R,3S,4S,5R,6R)-6-[[(1R,2S,4S,6Z,7S,8R,9S,12S,13S,15R,16R,18S)-7,15-dihydroxy-7,9,13-trimethyl-6-[(3S)-3-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutylidene]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-16-yl]oxy]-4-hydroxy-2-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
1065.20
|
-2
|
14
|
23
|
366.29
|
13
|
|
|
(2S,3R,4R,5R,6S)-2-[(2R,3S,4S,5R,6R)-4-hydroxy-6-[[(1R,2S,4S,6Z,7S,8R,9S,12S,13S,15R,16R,18S)-15-hydroxy-7-methoxy-7,9,13-trimethyl-6-[(3S)-3-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutylidene]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-16-yl]oxy]-2-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
1079.20
|
-1.5
|
13
|
23
|
355.29
|
14
|
|
|
(2S,3R,4R,5R,6S)-2-[(2R,3S,4S,5R,6R)-6-[[(1R,2S,4S,6Z,7R,8R,9S,12S,13S,15R,16R,18S)-7,15-dihydroxy-7,9,13-trimethyl-6-[(3S)-3-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutylidene]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-16-yl]oxy]-4-hydroxy-2-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
1065.20
|
-2
|
14
|
23
|
366.29
|
13
|
|
|
(2S,3R,4R,5R,6S)-2-[(2R,3S,4S,5R,6R)-4-hydroxy-2-(hydroxymethyl)-6-[[(1R,2S,4S,6Z,7R,8R,9S,12S,13S,16S,18S)-7-hydroxy-7,9,13-trimethyl-6-[(3S)-3-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutylidene]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-16-yl]oxy]-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
1049.20
|
-1
|
13
|
22
|
346.06
|
13
|
|
|
1,1,4,7-Tetramethyldecahydro-1H-cyclopropa[e]azulen-4-ol
|
222.37
|
3.7
|
1
|
1
|
20.23
|
0
|
|
|
10'-Apozeaxanthinal
|
392.60
|
7.1
|
1
|
2
|
37.3
|
8
|
|
|
(2E,4E,6E,8E,10E)-11-[(4R)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-5,9-dimethylundeca-2,4,6,8,10-pentaenal
|
326.50
|
5.2
|
1
|
2
|
37.3
|
6
|
|
|
9,9'-Diapo-10,9'-retro-carotene-9,9'-dione
|
270.40
|
4.3
|
0
|
2
|
34.14
|
7
|
|
|
8'-Apocapsorbinal
|
448.60
|
7.8
|
1
|
3
|
54.37
|
10
|
|
|
Norbornane, 2,2-dimethyl-5-methylene-
|
136.23
|
3.1
|
0
|
0
|
0
|
0
|
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