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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
CID 101774200
|
336.50
|
3.1
|
1
|
4
|
55.76
|
0
|
|
|
CID 101774202
|
394.50
|
2.8
|
1
|
6
|
82.06
|
2
|
|
|
CID 101774203
|
394.50
|
2.8
|
1
|
6
|
82.06
|
2
|
|
|
(5S)-1-(3,4-dimethoxyphenyl)-5-hydroxytetradecan-3-one
|
364.50
|
5.6
|
1
|
4
|
55.76
|
15
|
|
|
(5S)-1-(3,4-dimethoxyphenyl)-5-hydroxydodecan-3-one
|
336.50
|
4.5
|
1
|
4
|
55.76
|
13
|
|
|
[(5S)-1-(4-hydroxy-3-methoxyphenyl)-3-oxododecan-5-yl] acetate
|
364.50
|
4.8
|
1
|
5
|
72.83
|
14
|
|
|
[(5S)-1-(4-hydroxy-3-methoxyphenyl)-3-oxotetradecan-5-yl] acetate
|
392.50
|
5.8
|
1
|
5
|
72.83
|
16
|
|
|
[(5S)-1-(3,4-dimethoxyphenyl)-3-oxodecan-5-yl] acetate
|
350.40
|
4
|
0
|
5
|
61.83
|
13
|
|
|
7-hydroxy-3-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-[[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]chromen-4-one
|
548.50
|
-2.1
|
8
|
13
|
219.74
|
5
|
|
|
(2R,4R,4aS,4bR,7R,8aR,10aS)-7-ethenyl-1,1,4a,7-tetramethyl-2,3,4,4b,5,6,8,9,10,10a-decahydrophenanthrene-2,4,8a-triol
|
322.50
|
3.6
|
3
|
3
|
60.69
|
1
|
|
|
(2S,3R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(2S,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
|
480.60
|
0.5
|
6
|
7
|
138.45
|
5
|
|
|
5-hydroxy-3-(3-hydroxy-4,5-dimethoxyphenyl)-6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
|
524.50
|
0.7
|
6
|
13
|
193.83
|
7
|
|
|
[(2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)-4-[(1R,2R,3R,4S,5R)-2,3,4-trihydroxy-5-methylcyclohexyl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
|
622.60
|
0.3
|
9
|
14
|
236.06
|
11
|
|
|
[(1S,2R,4aR,8S,8aR)-3',3',8,8a-tetramethyl-3-oxospiro[4,4a,5,6,7,8-hexahydro-1H-naphthalene-2,2'-oxirane]-1-yl] acetate
|
294.40
|
2.9
|
0
|
4
|
55.9
|
2
|
|
|
[(1S,2S,4aR,8S,8aR)-3',3',8,8a-tetramethyl-3-oxospiro[4,4a,5,6,7,8-hexahydro-1H-naphthalene-2,2'-oxirane]-1-yl] acetate
|
294.40
|
2.9
|
0
|
4
|
55.9
|
2
|
|
|
(4aR,5S,8aR,9aS)-3,3,4a,5-tetramethyl-5,6,7,8,8a,9-hexahydrobenzo[f][1,2]benzodioxol-9a-ol
|
252.35
|
2.9
|
1
|
3
|
38.69
|
0
|
|
|
[(1R,2S,3R,4S,7R,8R,10R,13R)-2-hydroxy-3,4,13-trimethyl-12-oxo-11,14-dioxatetracyclo[8.3.1.01,10.03,8]tetradecan-7-yl] (Z)-2-methylbut-2-enoate
|
364.40
|
2.7
|
1
|
6
|
85.36
|
3
|
|
|
(1R,2S,3R,4S,8R,10R,13R)-2-hydroxy-3,4,13-trimethyl-11,14-dioxatetracyclo[8.3.1.01,10.03,8]tetradecan-12-one
|
266.33
|
2.5
|
1
|
4
|
59.06
|
0
|
|
|
Flavanomarein
|
450.40
|
-0.3
|
7
|
11
|
186.37
|
4
|
|
|
[(2S,3R,4S,5R,6S)-6-[(2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
|
932.80
|
-0.1
|
12
|
23
|
363.88
|
13
|
|
|
[(2S,3R,4S,5R,6S)-6-[(2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl] (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
|
962.90
|
-0.1
|
12
|
24
|
373.11
|
14
|
|
|
[(2S,3R,4S,5R,6S)-6-[(2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
|
916.80
|
0.3
|
11
|
22
|
343.65
|
13
|
|
|
[(2R,3R,4R,5R,6S)-2-[[(2R,3R,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4-dihydroxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-methyloxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
|
916.80
|
0.3
|
11
|
22
|
343.65
|
13
|
|
|
[(2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl] (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
|
816.70
|
1
|
10
|
20
|
314.19
|
12
|
|
|
[(2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
|
770.70
|
1.3
|
9
|
18
|
284.73
|
11
|
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