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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Emblicanin B
|
780.50
|
1.3
|
12
|
22
|
382.08
|
0
|
|
|
Chalepin
|
314.40
|
3.9
|
1
|
4
|
59.67
|
3
|
|
|
6-(4-Hydroxy-2-methylenebutyryl)-D-glucopyranose
|
278.26
|
-2.4
|
5
|
8
|
136.68
|
6
|
|
|
(1E,5R,10S,11S,14S)-4-ethyl-10,14-dihydroxy-5-[(1S)-1-hydroxyethyl]-11-methoxy-12-oxa-4-azatricyclo[9.2.1.02,5]tetradec-1-en-3-one
|
341.40
|
-1.6
|
3
|
6
|
99.46
|
3
|
|
|
methyl (1S,9S,14E,15S,16S,19S)-14-ethylidene-2-methyl-18-oxa-2,12-diazahexacyclo[13.3.2.01,9.03,8.09,16.012,19]icosa-3,5,7-triene-16-carboxylate
|
366.50
|
1.9
|
0
|
5
|
42.01
|
2
|
|
|
[(1S,2S,6R,10S,11R,13S,14R,15R)-13-acetyloxy-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] hexadecanoate
|
644.90
|
7.6
|
3
|
8
|
130.36
|
19
|
|
|
Asparagoside D
|
903.10
|
1.2
|
10
|
18
|
276.14
|
9
|
|
|
[(1S,3aR,5aR,5bS,7aR,9S,11aS,11bR,13aS,13bS)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl] acetate
|
468.80
|
10.4
|
0
|
2
|
26.3
|
3
|
|
|
Caryophyllenepoxid
|
220.35
|
3.6
|
0
|
1
|
12.53
|
0
|
|
|
5-(ethoxymethyl)-1H-pyrrole-2-carbaldehyde
|
153.18
|
0.6
|
1
|
2
|
42.09
|
4
|
|
|
2-Acetoxy-5-ethylfuran
|
154.16
|
1.9
|
0
|
3
|
39.44
|
3
|
|
|
(1S,2R,9R,17R)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadec-4-en-6-one
|
246.35
|
1.7
|
0
|
2
|
23.55
|
0
|
|
|
Cynaropicrin
|
346.40
|
0.6
|
2
|
6
|
93.06
|
4
|
|
|
Hexane-2,3,3-trithiol
|
182.40
|
2.8
|
3
|
3
|
116.4
|
3
|
|
|
1'-Acetoxychavicol acetate
|
234.25
|
2.2
|
0
|
4
|
52.6
|
6
|
|
|
Schizandrin-C;Wuweizisu-C
|
384.40
|
5
|
0
|
6
|
55.38
|
2
|
|
|
(r)-Mandelic acid
|
152.15
|
0.6
|
2
|
3
|
57.53
|
2
|
|
|
(4aR,5R,6R,7S,8aR)-1-methyl-5,7-diphenyl-6-(2,3,4,5-tetrahydropyridin-6-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
|
386.60
|
4.8
|
0
|
2
|
15.6
|
3
|
|
|
Benzoylformic acid
|
150.13
|
1.3
|
1
|
3
|
54.37
|
2
|
|
|
Salvianic acid B
|
718.60
|
4
|
9
|
16
|
278.04
|
14
|
|
|
1,1-Diphenylethane
|
182.26
|
3.6
|
0
|
0
|
0
|
2
|
|
|
Hydrangenol
|
256.25
|
3.2
|
2
|
4
|
66.76
|
1
|
|
|
1,5-Di-o-phosphonopent-2-ulose
|
310.09
|
-4.8
|
6
|
11
|
210.67
|
8
|
|
|
2-(Hydroxymethyl)benzoic acid
|
152.15
|
1.2
|
2
|
3
|
57.53
|
2
|
|
|
Jaconine
|
387.90
|
0.6
|
2
|
7
|
96.3
|
1
|
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