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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Effususol A
|
284.30
|
3.5
|
2
|
3
|
49.69
|
2
|
|
|
dimethyl (1S,4S,5R,6S,7S,8R,11S,12R,14S,15R)-12-acetyloxy-4-hydroxy-6-[(1S,2S,6S,8S,9R,11S)-2-hydroxy-11-methyl-5,7,10-trioxatetracyclo[6.3.1.02,6.09,11]dodec-3-en-9-yl]-6-methyl-7,14-bis[[(E)-2-methylbut-2-enoyl]oxy]-3,9-dioxatetracyclo[6.6.1.01,5.011,15]pentadecane-4,11-dicarboxylate
|
802.80
|
1.2
|
2
|
17
|
221.41
|
13
|
|
|
Shizukaol G
|
748.80
|
0.2
|
3
|
14
|
209.26
|
2
|
|
|
beta-D-Glucose 1-phosphate
|
260.14
|
-3.8
|
6
|
9
|
166.72
|
3
|
|
|
(2S)-2-amino-3-[[(2R)-3-hexadecanoyloxy-2-octadec-9-enoyloxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
|
762.00
|
10
|
3
|
11
|
181.49
|
41
|
|
|
1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, (3R,6Z)-
|
222.37
|
4.6
|
1
|
1
|
20.23
|
7
|
|
|
butyryl-CoA
|
837.60
|
-4.8
|
9
|
22
|
418.36
|
22
|
|
|
Ethyl methyl sulfide
|
76.16
|
1.5
|
0
|
1
|
25.3
|
1
|
|
|
3Alpha,7Alpha,12Alpha-trihydroxy-5Beta-cholestan-26-oic acid
|
450.70
|
5.2
|
4
|
5
|
97.99
|
6
|
|
|
Dimethyl Disulfide
|
94.20
|
1.8
|
0
|
2
|
50.6
|
1
|
|
|
11-Octadecaenoic acid
|
282.50
|
6.5
|
1
|
2
|
37.3
|
15
|
|
|
5-Hydroxy-3-[(8-hydroxy-3-methyl-1,4-dioxonaphthalen-2-yl)methyl]-2-methylnaphthalene-1,4-dione
|
388.40
|
4.1
|
2
|
6
|
108.74
|
2
|
|
|
cis-Carvotanacetol
|
154.25
|
2.1
|
1
|
1
|
20.23
|
1
|
|
|
Trehalose-6-phosphate
|
422.28
|
-5.8
|
9
|
14
|
245.87
|
6
|
|
|
threo-9,10-Dihydroxystearic acid
|
316.50
|
5.1
|
3
|
4
|
77.76
|
16
|
|
|
(9S,10S)-9,10-dihydroxystearic acid
|
316.50
|
5.1
|
3
|
4
|
77.76
|
16
|
|
|
N-acetylputrescine
|
130.19
|
-0.7
|
2
|
2
|
55.12
|
4
|
|
|
D-Erythrose 4-phosphate
|
200.08
|
-3.3
|
4
|
7
|
134.1
|
5
|
|
|
beta-D-Glucopyranosiduronic acid, (3beta,4beta,16alpha,21beta,22alpha)-16,21,22,23,28-pentahydroxyolean-12-en-3-yl O-beta-D-glucopyranosyl-(1,2)-O-(beta-D-glucopyranosyl-(1-4))-
|
1007.10
|
-1.7
|
15
|
22
|
375.9
|
11
|
|
|
Meratin
|
626.50
|
-1.8
|
11
|
17
|
289.66
|
7
|
|
|
4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3-(beta-D-glucopyranosyloxy)-5-hydroxy-7-methoxy-
|
462.40
|
0.5
|
6
|
11
|
179.28
|
5
|
|
|
(2S,3R,4S,5S)-2-[(1S,1'R,4S,4'R,5S,5'R,6'R,10'S,12'R,16'R,18'S,21'R)-1,4',6',12',17',17'-hexamethylspiro[3,6-dioxabicyclo[3.1.0]hexane-4,8'-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docos-13-ene]-18'-yl]oxyoxane-3,4,5-triol
|
600.80
|
3.8
|
3
|
8
|
110.14
|
2
|
|
|
(5E,9R,10E)-6,12-dimethyl-9-propan-2-yltrideca-5,10,12-trien-2-one
|
262.40
|
5.8
|
0
|
1
|
17.07
|
9
|
|
|
(2S)-2-(dimethylamino)-N-[(3R,4S,7S,10Z)-7-(2-methylpropyl)-5,8-dioxo-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-3-phenylpropanamide
|
568.70
|
5.4
|
3
|
5
|
99.77
|
8
|
|
|
Florosenine
|
423.50
|
1.2
|
0
|
9
|
111.74
|
2
|
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