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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
methyl (2S)-2-[(1S,2R,5R,6R,10R,11S,13S,16S)-6-(furan-3-yl)-11-hydroxy-1,5,15,15-tetramethyl-8,14,17-trioxo-7-oxatetracyclo[11.3.1.02,11.05,10]heptadecan-16-yl]-2-hydroxyacetate
|
502.60
|
1.7
|
2
|
9
|
140.34
|
4
|
|
|
(2R,3R,4S,5S,6R)-2-[(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S,18S,19S)-16-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-19-yl]oxy-6-methyloxane-3,4,5-triol
|
578.80
|
4.1
|
4
|
8
|
117.84
|
2
|
|
|
[(1S,18R,19S,21R,22S)-6,7,8,11,12,13,22-heptahydroxy-21-(hydroxymethyl)-3,16-dioxo-2,17,20-trioxatetracyclo[16.3.1.04,9.010,15]docosa-4,6,8,10,12,14-hexaen-19-yl] 3,4,5-trihydroxybenzoate
|
634.50
|
0.1
|
11
|
18
|
310.66
|
4
|
|
|
(1S,6S,7S,11S,19S)-11-(2,4-dihydroxyphenyl)-7-(3,5-dihydroxyphenyl)-6,19-bis(4-hydroxyphenyl)-5,18-dioxapentacyclo[11.6.1.02,10.04,8.017,20]icosa-2,4(8),9,13(20),14,16-hexaene-9,15-diol
|
696.70
|
6.8
|
8
|
10
|
180.3
|
4
|
|
|
[(1S,2R,4S,5R,6R,7S,9R,12R)-5-acetyloxy-6-(acetyloxymethyl)-7,12-dibenzoyloxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-4-yl] pyridine-3-carboxylate
|
699.70
|
5.4
|
0
|
12
|
153.62
|
14
|
|
|
[(2S,3S,4S,5R,6S)-4-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-5-hydroxy-6-[(2S,3R,4S,5S)-5-hydroxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-2-[(1S,2S,3'S,4S,4'S,6S,7S,8R,9S,12S,13R,14R,16R)-3',4',16-trihydroxy-7,9,13-trimethyl-5'-methylidenespiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-14-yl]oxyoxan-3-yl]oxy-2-methyloxan-3-yl] acetate
|
1045.10
|
-2.8
|
11
|
23
|
341.13
|
11
|
|
|
Gldxdbqxocjvqc-nnxmzcnrsa-
|
1281.20
|
-2.1
|
14
|
32
|
480.72
|
27
|
|
|
(1R,3S,5S,6R)-8-azabicyclo[3.2.1]octane-3,6-diol
|
143.18
|
-0.7
|
3
|
3
|
52.49
|
0
|
|
|
(4S)-4-(Hydroxymethyl)-D-proline
|
145.16
|
-3.2
|
3
|
4
|
69.56
|
2
|
|
|
2,3,3-Trimethylindoline
|
161.24
|
3.2
|
1
|
1
|
12.03
|
0
|
|
|
3-Methoxy-1-phenylpropan-1-one
|
164.20
|
1.4
|
0
|
2
|
26.3
|
4
|
|
|
3-Methyl-2-prenylthiophene
|
166.29
|
3.9
|
0
|
1
|
28.24
|
2
|
|
|
(1S,3aS,4R,8aS)-1-hydroxy-4,8a-dimethyl-1,2,3,3a,4,5,7,8-octahydroazulen-6-one
|
196.29
|
1.6
|
1
|
2
|
37.3
|
0
|
|
|
Maalialcohol
|
222.37
|
4.1
|
1
|
1
|
20.23
|
0
|
|
|
Navenone A
|
225.28
|
2.7
|
0
|
2
|
29.96
|
5
|
|
|
2H-Pyran-2-one, 5,6-dihydro-5-hydroxy-4-methoxy-6-(2-phenylethyl)-, (5R-cis)-
|
248.27
|
1.6
|
1
|
4
|
55.76
|
4
|
|
|
(1R,4R,5aS,9aS)-1,4-dihydroxy-6,6,9a-trimethyl-4,5,5a,7,8,9-hexahydro-1H-benzo[e][2]benzofuran-3-one
|
266.33
|
2
|
2
|
4
|
66.76
|
0
|
|
|
1-Hydroxy-7-methoxy-2-methylanthracene-9,10-dione
|
268.26
|
3.4
|
1
|
4
|
63.6
|
1
|
|
|
[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (Z)-3-phenylprop-2-enoate
|
271.35
|
3.4
|
0
|
3
|
29.54
|
4
|
|
|
Goniodiol 8-acetate
|
276.28
|
1.5
|
1
|
5
|
72.83
|
5
|
|
|
(1R,3S)-9,10-dihydroxy-1,3,8-trimethyl-3,4-dihydro-1H-benzo[g]isochromene-6,7-dione
|
288.29
|
1.9
|
2
|
5
|
83.83
|
0
|
|
|
(1S,2R)-3,3,5-trimethyl-2,11-dihydro-1H-pyrano[3,2-a]carbazole-1,2-diol
|
297.30
|
2.6
|
3
|
3
|
65.48
|
0
|
|
|
5,2',6'-Trihydroxy-7-methoxyflavone
|
300.26
|
1.7
|
3
|
6
|
100.13
|
2
|
|
|
(1S,4R,6R,7Z,11E)-2,7,11-cembratriene-4,6-diol
|
306.50
|
4
|
2
|
2
|
40.46
|
1
|
|
|
ottelione A
|
310.40
|
3.8
|
1
|
3
|
46.53
|
4
|
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