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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[(2S,3R,4R,5S,6S)-5-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S)-2-methylbutanoyl]oxyoxan-2-yl]oxy-6-methyl-2-[[(1R,3S,5S,6R,7R,8R,20S,22R,24R,25R,26S)-7,25,26-trihydroxy-5,24-dimethyl-10-oxo-20-pentyl-2,4,9,21,23-pentaoxatricyclo[20.4.0.03,8]hexacosan-6-yl]oxy]-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl] dodecanoate
|
1267.50
|
7.7
|
9
|
25
|
353.27
|
27
|
|
|
[(2S,3S,4R,5R)-2-[(2R,3R,4S,5R,6R)-6-(acetyloxymethyl)-4-[(2S,3R,4R,5S,6R)-6-(acetyloxymethyl)-3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-5-(hydroxymethyl)-2-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxolan-3-yl] benzoate
|
1339.20
|
-2.4
|
14
|
34
|
507.02
|
30
|
|
|
(1S,5R)-8-(trideuteriomethyl)-8-azabicyclo[3.2.1]octan-3-one
|
142.21
|
0.3
|
0
|
2
|
20.31
|
0
|
|
|
Deuterio 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecadeuterioheptanoate
|
144.27
|
2.5
|
1
|
2
|
37.3
|
5
|
|
|
Cleroindicin F
|
154.16
|
-0.7
|
1
|
3
|
46.53
|
0
|
|
|
6-Methoxyindoline-2,3-dione
|
177.16
|
0.6
|
1
|
3
|
55.4
|
1
|
|
|
2,5-imino-2,5,6-trideoxy-D-manno-heptitol
|
177.20
|
-2
|
5
|
5
|
92.95
|
3
|
|
|
1H-Pyrido[3,4-b]indol-5-ol, 2,3,4,9-tetrahydro-
|
188.23
|
1.1
|
3
|
2
|
48.05
|
0
|
|
|
1-(Benzo[d][1,3]dioxol-5-yl)butan-1-ol
|
194.23
|
2.3
|
1
|
3
|
38.69
|
3
|
|
|
(1R,2S)-1-hydroxy(313C)propane-1,2,3-tricarboxylic acid
|
195.10
|
-1.8
|
4
|
7
|
132.13
|
5
|
|
|
Paeonilactone B
|
196.20
|
0.1
|
1
|
4
|
63.6
|
0
|
|
|
Gelsemiol
|
200.23
|
0.5
|
2
|
4
|
66.76
|
2
|
|
|
omega-Cadinene
|
204.35
|
3.8
|
0
|
0
|
0
|
1
|
|
|
(1R,4aS,8aS)-1,6-dimethyl-4-propan-2-yl-1,2,4a,5,8,8a-hexahydronaphthalene
|
204.35
|
4
|
0
|
0
|
0
|
1
|
|
|
Oxacyclotetradecan-2-one, 13-methyl-, (13R)-
|
226.35
|
5.1
|
0
|
2
|
26.3
|
0
|
|
|
5-methoxy-3-methyl-9H-carbazol-2-ol
|
227.26
|
3.4
|
2
|
2
|
45.25
|
1
|
|
|
3,9-dihydroxy-6H-benzo[c]chromen-6-one
|
228.20
|
2.3
|
2
|
4
|
70.67
|
0
|
|
|
Stilbostemin B
|
228.29
|
3.8
|
2
|
2
|
40.46
|
3
|
|
|
(5S,6S)-6-ethenyl-3,6-dimethyl-5-prop-1-en-2-yl-5,7-dihydro-1-benzofuran-4-one
|
230.30
|
4
|
0
|
2
|
30.21
|
2
|
|
|
Lubiminol
|
238.37
|
3.5
|
2
|
2
|
40.46
|
2
|
|
|
Olivetol
|
180.24
|
3.6
|
2
|
2
|
40.46
|
4
|
|
|
Clausenal
|
255.27
|
2.8
|
1
|
3
|
51.32
|
3
|
|
|
2-(3,4-Dihydroxyphenyl)-1,3-benzodioxole-5-carboxaldehyde
|
258.23
|
2
|
2
|
5
|
75.99
|
2
|
|
|
Megistoquinone I
|
259.21
|
1.6
|
0
|
6
|
78.63
|
2
|
|
|
(E,2S)-2-[(2S,5R)-5-ethenyl-2,5-dimethyloxolan-2-yl]-6-hydroxy-6-methylhept-4-en-3-one
|
266.38
|
2.1
|
1
|
3
|
46.53
|
5
|
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