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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(1R,2R,9R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one
|
248.36
|
1.6
|
0
|
2
|
23.55
|
0
|
|
|
(R)-Eriodictyol-8-C-beta-D-glucopyranoside
|
450.40
|
-0.4
|
8
|
11
|
197.37
|
3
|
|
|
Myrrhone
|
228.29
|
3.6
|
0
|
2
|
30.21
|
0
|
|
|
3-O-acetyl-11-hydroxy-beta-boswellic acid
|
514.70
|
7.2
|
2
|
5
|
83.83
|
3
|
|
|
8-Hydroxy-3,5,6,7,3',4'-hexamethoxyflavone
|
418.40
|
2.9
|
1
|
9
|
105.82
|
7
|
|
|
Gentiournoside D
|
512.50
|
0.4
|
7
|
13
|
212.67
|
7
|
|
|
CID 134715245
|
897.10
|
1.3
|
10
|
17
|
274.75
|
9
|
|
|
l-Borneol 7-O-[|A-D-apiofuranosyl-(1 inverted exclamation marku6)]-|A-D-glucopyranoside
|
448.50
|
-0.9
|
6
|
10
|
158.3
|
6
|
|
|
CID 134715250
|
388.40
|
2.2
|
0
|
7
|
92.04
|
3
|
|
|
[(1S,2R,3R,4R,5R,6S,8R,9R,10R,13R,14R,16S,17S,18R)-8-acetyloxy-11-ethyl-5,14-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] 4-methoxybenzoate
|
659.80
|
1.2
|
2
|
12
|
142.45
|
12
|
|
|
Dihydroconiferyl dihydro-p-coumarate
|
330.40
|
2.9
|
2
|
5
|
75.99
|
7
|
|
|
Desoxycabufiline
|
734.90
|
4.8
|
0
|
10
|
84.02
|
7
|
|
|
Panarine
|
322.40
|
2.7
|
1
|
2
|
55.92
|
0
|
|
|
methyl (12S,14S,15E)-15-ethylidene-13-(hydroxymethyl)-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8-tetraene-13-carboxylate
|
352.40
|
1.5
|
2
|
4
|
65.56
|
3
|
|
|
methyl (1S,17R,18S)-18-ethyl-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6,9-tetraene-10-carboxylate
|
324.40
|
3.1
|
1
|
4
|
41.57
|
3
|
|
|
9-Deoxyforskolin
|
394.50
|
1.8
|
2
|
6
|
93.06
|
3
|
|
|
Androsta-1,4-diene-3,17-dione
|
284.40
|
3
|
0
|
2
|
34.14
|
0
|
|
|
Liliaxanthin
|
600.90
|
9.5
|
3
|
4
|
77.76
|
11
|
|
|
22-Dihydro-25-dehydrochondrillasterol
|
412.70
|
9
|
1
|
1
|
20.23
|
6
|
|
|
5-hydroxy-6-methoxy-2-(4-methoxyphenyl)-7-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
|
622.60
|
-0.5
|
7
|
15
|
227.2
|
8
|
|
|
Glc(a1-4)L-Glc(a1-4)L-Glc
|
504.40
|
-6.9
|
11
|
16
|
268.68
|
7
|
|
|
[6-[[6-[2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-2-methyloxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
|
771.70
|
|
10
|
17
|
286.05
|
11
|
|
|
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,4S,5R,9S,10R,13S)-13-[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate
|
967.00
|
-2.8
|
14
|
23
|
374.13
|
13
|
|
|
(5aS,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-[2]benzofuro[5,6-f][1,3]benzodioxole-5,8-dione
|
398.40
|
2.2
|
1
|
8
|
100.52
|
3
|
|
|
2-(4-Hydroxyphenyl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
|
418.40
|
0.4
|
5
|
9
|
145.91
|
4
|
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