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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
10-Desacetylbaccatin III
|
544.60
|
0.6
|
4
|
10
|
159.82
|
5
|
|
|
[(2R,4aR,5S,8aR)-1,1,4a,6-tetramethyl-8-oxo-5-[(2-oxochromen-7-yl)oxymethyl]-3,4,5,8a-tetrahydro-2H-naphthalen-2-yl] acetate
|
438.50
|
4.2
|
0
|
6
|
82.81
|
5
|
|
|
4-[(2R,3S,4S,5S)-5-(4-hydroxy-3,5-dimethoxyphenyl)-3,4-bis(hydroxymethyl)oxolan-2-yl]-2,6-dimethoxyphenol
|
436.50
|
1.2
|
4
|
9
|
127.07
|
8
|
|
|
4-Methoxystyrene
|
134.17
|
3.1
|
0
|
1
|
9.23
|
2
|
|
|
Heptenol
|
114.19
|
2.8
|
1
|
1
|
20.23
|
4
|
|
|
3-[2-(4-Aminophenyl)ethyl]-8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
|
514.60
|
4.9
|
1
|
6
|
69.88
|
9
|
|
|
(3Z)-6-methylhepta-3,5-dien-2-one
|
124.18
|
2
|
0
|
1
|
17.07
|
2
|
|
|
3/,4/-Di-O-acetyl-2/,6/-di-O-p-coumaroylastragalin
|
824.70
|
5.9
|
5
|
17
|
255.02
|
16
|
|
|
[(1S,4aR,6S,7S,7aS)-7-(acetyloxymethyl)-4a,6,7-trihydroxy-1-(3-methylbutanoyloxy)-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4-yl]methyl (2S)-3-methyl-2-(3-methylbutanoyloxy)butanoate
|
558.60
|
1.5
|
3
|
12
|
175.12
|
16
|
|
|
5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
|
608.50
|
-0.8
|
8
|
15
|
238.2
|
7
|
|
|
(S)-2-Undecanol
|
172.31
|
4.5
|
1
|
1
|
20.23
|
8
|
|
|
(R)-2-Undecanol
|
172.31
|
4.5
|
1
|
1
|
20.23
|
8
|
|
|
2,5-Dimethylthiophene
|
112.19
|
2.4
|
0
|
1
|
28.24
|
0
|
|
|
1-(2,6-Dihydroxy-4-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
|
300.30
|
3.5
|
2
|
5
|
75.99
|
5
|
|
|
Ethyl 3,3-dimethylacrylate
|
128.17
|
1.9
|
0
|
2
|
26.3
|
3
|
|
|
Dehydroryanodine
|
491.50
|
-1.1
|
7
|
9
|
172.7
|
4
|
|
|
[(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[3-(4-hydroxyphenyl)-6-methoxy-4-oxochromen-7-yl]oxyoxan-2-yl]methyl acetate
|
488.40
|
0.7
|
4
|
11
|
165.12
|
7
|
|
|
(2S,3R,4S,5R,6R)-2-[3-[(E)-2-(2,4-dihydroxyphenyl)ethenyl]-5-hydroxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
406.40
|
0.7
|
7
|
9
|
160.07
|
5
|
|
|
[(2S,3R,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-3-yl] (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate
|
562.50
|
-1.7
|
7
|
15
|
223.29
|
12
|
|
|
(2S,3R,4S,5R,6R)-2-[2-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-5-hydroxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
406.40
|
1
|
7
|
9
|
160.07
|
5
|
|
|
(2S,3R,4R,5S,6R)-2-[(2S,3R,4R,5R,6S)-2-[[(2R,3R,5R,8R,9R,10S,12R,13R,14S,17S)-2,12-dihydroxy-4,4,8,10,14-pentamethyl-17-[(2R)-6-methyl-2-[(2S,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
963.20
|
1.4
|
13
|
19
|
318.37
|
13
|
|
|
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-6-[(2S,3S,4S,5R)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one
|
580.50
|
-2.5
|
11
|
15
|
271.2
|
4
|
|
|
(4S)-4-(hydroxymethyl)-5,5-dimethyl-3-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]cyclohex-2-en-1-one
|
346.37
|
-2.1
|
5
|
8
|
136.68
|
5
|
|
|
Hosenkoside F
|
949.10
|
0.3
|
12
|
19
|
307.37
|
11
|
|
|
Ligupurpuroside C
|
738.70
|
-0.9
|
9
|
17
|
263.75
|
13
|
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