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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(2S)-2-amino-3-[[(2R)-3-hexadecanoyloxy-2-octadeca-9,12,15-trienoyloxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
|
758.00
|
8.7
|
3
|
11
|
181.49
|
39
|
|
|
(1S,2S,3S,4R,8R,9R,12S,14S)-8-formyl-12,14-dihydroxy-4-methyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-2,4-dicarboxylic acid
|
378.40
|
-0.4
|
4
|
7
|
132.13
|
3
|
|
|
7-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-hydroxy-3-methoxychromen-4-one
|
640.50
|
-1.5
|
10
|
17
|
278.66
|
8
|
|
|
d-N-(carboxyacetyl) alanine
|
175.14
|
-0.8
|
3
|
5
|
103.7
|
4
|
|
|
6-[2-Carboxy-6-[6-carboxy-4,5-dihydroxy-2-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxan-3-yl]oxy-3-hydroxy-5-[3-(4-hydroxyphenyl)prop-2-enoyloxy]oxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
|
944.70
|
0.7
|
12
|
25
|
405.86
|
14
|
|
|
(1S,4aR,5S,8aS)-5-[(4S)-4,5-dihydroxy-3-methylidenepentyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
|
336.50
|
3.7
|
3
|
4
|
77.76
|
6
|
|
|
5,7-dihydroxy-3-[4-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]chromen-4-one
|
416.40
|
1.4
|
5
|
9
|
149.82
|
3
|
|
|
(E,4S)-11-[(4aR,8aR)-2,4a,7,7-tetramethyl-3,4,5,6,8,8a-hexahydronaphthalen-1-yl]-4,8-dimethyl-5-propan-2-ylideneundec-8-en-1-ol
|
428.70
|
9.4
|
1
|
1
|
20.23
|
10
|
|
|
[(2R)-3-octadecanoyloxy-2-octadec-9-enoyloxypropyl] icosanoate
|
917.50
|
25.3
|
0
|
6
|
78.9
|
57
|
|
|
(13R)-nonacosan-13-ol
|
424.80
|
14
|
1
|
1
|
20.23
|
26
|
|
|
7-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-3,5-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
|
772.70
|
-3
|
13
|
21
|
348.58
|
10
|
|
|
4-[6-(4-Hydroxy-3-methoxyphenoxy)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxyphenol
|
374.40
|
2.6
|
2
|
7
|
86.61
|
5
|
|
|
(2R)-4-[(2S,13S)-13-[(2S,5S)-5-[(1R,6S)-1,6-dihydroxypentadecyl]oxolan-2-yl]-2,13-dihydroxy-8-oxotridecyl]-2-methyl-2H-furan-5-one
|
638.90
|
7.1
|
4
|
8
|
133.52
|
28
|
|
|
4-[(R)-hydroxy(methylaminomethoxy)methyl]phenol
|
183.20
|
0.3
|
3
|
4
|
61.72
|
4
|
|
|
Coleon O
|
388.50
|
0.7
|
2
|
6
|
100.9
|
2
|
|
|
7-methyl-3-methylidene-1-[(3S)-4-methylidene-5-oxooxolan-3-yl]oct-6-ene-2,5-dione
|
262.30
|
1.9
|
0
|
4
|
60.44
|
6
|
|
|
2-[[17-[2-[6-[[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-6-methylhept-4-en-2-yl]-12-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
917.10
|
2.3
|
11
|
17
|
277.91
|
13
|
|
|
4-[2-[1-carboxy-2-(1H-indol-3-yl)ethyl]iminoethylidene]-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid
|
397.40
|
1.7
|
5
|
8
|
152.08
|
7
|
|
|
3-[[6-[3,5-Dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid
|
534.40
|
0.4
|
7
|
14
|
233.65
|
8
|
|
|
[(1R,2S,3S,7R,8S,9S,13S)-9-acetyloxy-13-(hydroxymethyl)-6-methylidene-5-oxo-4,12-dioxatetracyclo[8.5.0.02,13.03,7]pentadec-10-en-8-yl] (2R)-2-methylbutanoate
|
420.50
|
1.3
|
1
|
8
|
108.36
|
7
|
|
|
Methyl 2-[14-acetyloxy-6-(furan-3-yl)-16-hydroxy-7,11,13,13-tetramethyl-4-oxo-5,17-dioxapentacyclo[13.2.1.01,10.02,7.011,16]octadecan-12-yl]acetate
|
530.60
|
2.9
|
1
|
9
|
121.5
|
6
|
|
|
(1R,2S,3'S,4R,4'S,5'S,6S,7S,8R,9R,12S,13R,14R,16R)-3',16-dihydroxy-14-[(2S,3R,4S,5S)-4-hydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5',7,9,13-tetramethyl-4'-[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-3-one
|
1033.10
|
-3.3
|
12
|
23
|
352.13
|
8
|
|
|
(1S,4S)-1-oxodithiolane-4-carboxylic acid
|
166.20
|
-0.8
|
1
|
5
|
98.88
|
1
|
|
|
(1R,11R,13S,16R,18R)-18-ethoxy-11-methoxy-5,7,12-trioxa-15-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,19-tetraene
|
345.40
|
1.7
|
1
|
6
|
58.18
|
3
|
|
|
6-[[5-(6-Carboxy-3,4,5-trihydroxyoxan-2-yl)oxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-7-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
|
654.50
|
-1.3
|
9
|
18
|
288.66
|
8
|
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