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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
alpha-Isolupanine
|
248.36
|
1.6
|
0
|
2
|
23.55
|
0
|
|
|
Roemerine
|
279.30
|
3.3
|
0
|
3
|
21.7
|
0
|
|
|
Matairesinol
|
358.40
|
3.3
|
2
|
6
|
85.22
|
6
|
|
|
(1R,2S,4S,5R,8S,9R,12S,13R,14S)-1-hydroxy-14-(2-hydroxypropan-2-yl)-13-methyl-3,7,10-trioxapentacyclo[6.4.1.19,12.02,4.05,13]tetradecane-6,11-dione
|
310.30
|
-1
|
2
|
7
|
105.59
|
1
|
|
|
2-Propenal, 3-(4-hydroxy-3,5-dimethoxyphenyl)-
|
208.21
|
1.4
|
1
|
4
|
55.76
|
4
|
|
|
3,4-Dihydroxyphenylacetaldehyde
|
152.15
|
0.4
|
2
|
3
|
57.53
|
2
|
|
|
3-Heptadecylcatechol
|
348.60
|
10.1
|
2
|
2
|
40.46
|
16
|
|
|
(2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5R,6R)-2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[[(1S,2R,5S,7S,10S,11S,14S,15R,16S,17R,20S,23S)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracosan-7-yl]oxy]oxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
1018.20
|
0
|
12
|
21
|
319.84
|
11
|
|
|
Hydroxyethylcysteine
|
165.21
|
-3.4
|
3
|
5
|
108.85
|
5
|
|
|
3-deoxy-D-manno-octulosonate
|
238.19
|
-3.6
|
6
|
8
|
155.52
|
7
|
|
|
2,3,14-trihydroxy-10,13-dimethyl-17-(2,3,7-trihydroxy-6-methylheptan-2-yl)-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
|
480.60
|
0.6
|
6
|
7
|
138.45
|
6
|
|
|
2-Benzylbenzoic acid
|
212.24
|
2.3
|
1
|
2
|
37.3
|
3
|
|
|
Epifriedelanol
|
428.70
|
10.1
|
1
|
1
|
20.23
|
0
|
|
|
Dioscin
|
869.00
|
1.3
|
8
|
16
|
235.68
|
7
|
|
|
Solasonine
|
884.10
|
1.1
|
10
|
17
|
258.71
|
8
|
|
|
Epoxyoleic acid
|
298.50
|
6.1
|
1
|
3
|
49.83
|
15
|
|
|
12-Deoxyphorbol
|
348.40
|
0.1
|
4
|
5
|
97.99
|
1
|
|
|
Astilbin
|
450.40
|
0.4
|
7
|
11
|
186.37
|
3
|
|
|
3-Methylquinoline
|
143.18
|
2.5
|
0
|
1
|
12.89
|
0
|
|
|
Phaseollidin
|
324.40
|
4.2
|
2
|
4
|
58.92
|
2
|
|
|
Kievitone
|
356.40
|
4.1
|
4
|
6
|
107.22
|
3
|
|
|
Cucurbitacin S
|
498.60
|
3.2
|
2
|
6
|
100.9
|
1
|
|
|
Linustatin
|
409.39
|
-3.8
|
7
|
12
|
202.32
|
6
|
|
|
Ginsenoside Rh2
|
622.90
|
5.6
|
6
|
8
|
139.84
|
7
|
|
|
3,3'-Dimethylbiphenyl
|
182.26
|
4.3
|
0
|
0
|
0
|
1
|
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