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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[(1S,2S,4S,7R,8R,9S,10S,12S,13S,16R)-8-acetyloxy-4,7,12,13-tetrahydroxy-2-(2-hydroxypropan-2-yl)-5,9-dimethyl-15-oxatetracyclo[7.6.1.02,6.013,16]hexadec-5-en-10-yl] acetate
|
484.50
|
-2
|
5
|
10
|
162.98
|
5
|
|
|
(3R)-12-[(2S,5S)-5-[(1S)-1-hydroxyethyl]pyrrolidin-2-yl]-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxydodecanoic acid
|
491.60
|
-0.7
|
7
|
10
|
168.94
|
16
|
|
|
5,6-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
|
508.40
|
0.7
|
7
|
13
|
208.74
|
6
|
|
|
Aristophyll B
|
564.70
|
5.1
|
2
|
6
|
109.96
|
8
|
|
|
[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hydrogen phosphate
|
566.30
|
-6.3
|
9
|
17
|
316.61
|
9
|
|
|
Capsanthin-3,6-epoxide
|
600.90
|
10
|
2
|
4
|
66.76
|
11
|
|
|
(2S)-4-[(3R,13R)-3,13-dihydroxy-13-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one
|
622.90
|
9.5
|
3
|
7
|
105.45
|
25
|
|
|
Deacetylserrulatin B
|
656.70
|
3.9
|
1
|
12
|
168.8
|
11
|
|
|
2-Chloroacrylic acid
|
106.51
|
1.2
|
1
|
2
|
37.3
|
1
|
|
|
coumaroyl(-1)[coumaroyl(3-OMe)(-6)]Fruf(b2-1a)Glc
|
664.60
|
-0.2
|
8
|
16
|
251.36
|
14
|
|
|
[(3S,5S,6S,8S,10S,13S,14S,17S)-6-hydroxy-17-[(2S)-2-hydroxy-6-methyl-4-oxoheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate
|
512.70
|
3.3
|
3
|
7
|
129.51
|
7
|
|
|
Cheirotoxine
|
712.80
|
-2.3
|
8
|
15
|
242.13
|
7
|
|
|
(2E)-(2-Ethyl-3-oxo-2,3-dihydro-1H-isoindol-1-ylidene)acetaldehyde
|
201.22
|
1.1
|
0
|
2
|
37.38
|
2
|
|
|
Linalool oxide acetate (trans)
|
212.28
|
2
|
0
|
3
|
35.53
|
4
|
|
|
(6R)-2-methyl-6-(4-methylphenyl)hept-2-en-4-one
|
216.32
|
4
|
0
|
1
|
17.07
|
4
|
|
|
1-Bisabolone
|
220.35
|
4.1
|
0
|
1
|
17.07
|
4
|
|
|
(2R,3S,4S,5R,6R)-3,4-dimethoxy-6-(methoxymethyl)oxane-2,5-diol
|
222.24
|
-1.5
|
2
|
6
|
77.38
|
4
|
|
|
(7R,9aR)-4,4,7,9a-tetramethyl-1,2,3,6,8,9-hexahydrobenzo[7]annulen-7-ol
|
222.37
|
4.1
|
1
|
1
|
20.23
|
0
|
|
|
1-(2-Hydroxy-4,6-dimethoxyphenyl)butan-1-one
|
224.25
|
2.6
|
1
|
4
|
55.76
|
5
|
|
|
N-methoxy-3-formylcarbazole
|
225.24
|
3.2
|
0
|
2
|
31.23
|
2
|
|
|
(4S,6R)-4,6-dihydroxy-3-[(E)-3-hydroxy-3-methylbut-1-enyl]-4-methylcyclohex-2-en-1-one
|
226.27
|
-0.7
|
3
|
4
|
77.76
|
2
|
|
|
Benzyl 3-hydroxybenzoate
|
228.24
|
3.6
|
1
|
3
|
46.53
|
4
|
|
|
(4aR,8aS,9aR)-3,8a-dimethyl-5-methylidene-4a,6,7,8,9,9a-hexahydro-4H-benzo[f][1]benzofuran-2-one
|
232.32
|
2.9
|
0
|
2
|
26.3
|
0
|
|
|
15alpha-Hydroperoxy-guaia-1(10),11-diene
|
236.35
|
3.4
|
1
|
2
|
29.46
|
3
|
|
|
10alpha-Hydroperoxy-guaia-1,11-diene
|
236.35
|
3.5
|
1
|
2
|
29.46
|
2
|
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