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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
2-Methoxy-5-methylphenol
|
138.16
|
2.1
|
1
|
2
|
29.46
|
1
|
|
|
4-(2-Hydroxyethyl)-2-nitrophenol
|
183.16
|
1.6
|
2
|
4
|
83.6
|
2
|
|
|
(4R)-3,5,5-trimethyl-4-(3-oxobutyl)cyclohex-2-en-1-one
|
208.30
|
1.4
|
0
|
2
|
34.14
|
3
|
|
|
5,7-Dimethoxy-1-(3-methylbut-2-enyl)-9,10-dihydrophenanthren-2-ol
|
324.40
|
5.4
|
1
|
3
|
38.69
|
4
|
|
|
[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxan-2-yl]methyl hexadecanoate
|
941.40
|
16.8
|
0
|
10
|
123.66
|
31
|
|
|
3'-Galloylprodelphinidin B2
|
762.60
|
2.8
|
14
|
18
|
327.98
|
6
|
|
|
5-Galloylquinic acid
|
344.27
|
-1.2
|
7
|
10
|
184.98
|
4
|
|
|
8-C-Ascorbylepigallocatechin 3-gallate
|
632.50
|
-0.2
|
11
|
17
|
293.59
|
6
|
|
|
Oolonghomobisflavan A
|
928.80
|
4.5
|
16
|
22
|
394.74
|
10
|
|
|
Oolonghomobisflavan B
|
928.80
|
4.5
|
16
|
22
|
394.74
|
10
|
|
|
Epicatechin(4b->8)epigallocatechin 3-O-gallate
|
746.60
|
3.2
|
13
|
17
|
307.75
|
6
|
|
|
3-O-Galloylepiafzelechin-(4beta->6)-epigallocatechin-3-O-gallate
|
882.70
|
4.7
|
14
|
20
|
354.28
|
9
|
|
|
Prodelphinidin A2 3'-gallate
|
760.60
|
2.8
|
13
|
18
|
316.98
|
5
|
|
|
Prodelphinidin A1
|
608.50
|
1.7
|
11
|
14
|
250.22
|
2
|
|
|
(2R,3R,4S,5R)-2-[(2S,3S)-4-hydroxy-2,3-bis[(4-hydroxy-3,5-dimethoxyphenyl)methyl]butoxy]oxane-3,4,5-triol
|
554.60
|
0.9
|
6
|
12
|
176.76
|
13
|
|
|
(2R,3R,4S,5R)-2-[(2R,3R)-4-hydroxy-2,3-bis[(4-hydroxy-3,5-dimethoxyphenyl)methyl]butoxy]oxane-3,4,5-triol
|
554.60
|
0.9
|
6
|
12
|
176.76
|
13
|
|
|
Prupaside
|
552.60
|
0.8
|
5
|
12
|
165.76
|
10
|
|
|
(2R,3R,4S,5R)-2-[[(2S,3R,4R)-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]oxolan-3-yl]methoxy]oxane-3,4,5-triol
|
552.60
|
0.8
|
5
|
12
|
165.76
|
10
|
|
|
(2R,3R,4S,5R)-2-[[(1S,2R,3R)-7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]oxane-3,4,5-triol
|
552.60
|
0.5
|
6
|
12
|
176.76
|
9
|
|
|
Nudiposide
|
552.60
|
0.5
|
6
|
12
|
176.76
|
9
|
|
|
Schizandriside
|
492.50
|
0.5
|
6
|
10
|
158.3
|
7
|
|
|
2-(4-Hydroxy-3-methoxyphenyl)-4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(hydroxymethyl)oxolan-3-ol
|
376.40
|
1.3
|
4
|
7
|
108.61
|
6
|
|
|
[(2R,3R)-4-acetyloxy-2,3-bis[(4-acetyloxy-3-methoxyphenyl)methyl]butyl] acetate
|
530.60
|
3.9
|
0
|
10
|
123.66
|
17
|
|
|
2-[[7-Hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
582.60
|
0.4
|
7
|
13
|
196.99
|
10
|
|
|
Pabularinone
|
286.28
|
2.7
|
0
|
5
|
69.65
|
4
|
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