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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[(2R)-3-[hydroxy-[(2S)-2-hydroxy-3-[hydroxy-[(2R)-3-octadecanoyloxy-2-[(Z)-octadec-11-enoyl]oxypropoxy]phosphoryl]oxypropoxy]phosphoryl]oxy-2-octadecanoyloxypropyl] octadecanoate
|
1464.00
|
29.5
|
3
|
17
|
256.57
|
85
|
|
|
[(2R)-3-[[(2S)-3-[[(2R)-2,3-bis[[(Z)-octadec-11-enoyl]oxy]propoxy]-hydroxyphosphoryl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-2-octadecanoyloxypropyl] octadecanoate
|
1462.00
|
28.6
|
3
|
17
|
256.57
|
84
|
|
|
CL(18:0/18:0/18:1(11Z)/18:2(9Z,12Z))
|
1460.00
|
27.9
|
3
|
17
|
256.57
|
83
|
|
|
[(2R)-3-[hydroxy-[(2S)-2-hydroxy-3-[hydroxy-[(2R)-3-[(Z)-octadec-9-enoyl]oxy-2-[(Z)-octadec-11-enoyl]oxypropoxy]phosphoryl]oxypropoxy]phosphoryl]oxy-2-octadecanoyloxypropyl] octadecanoate
|
1462.00
|
28.6
|
3
|
17
|
256.57
|
84
|
|
|
CL(18:0/18:1(11Z)/18:1(11Z)/18:1(11Z))
|
1460.00
|
27.7
|
3
|
17
|
256.57
|
83
|
|
|
CL(18:0/18:1(11Z)/18:1(11Z)/18:2(9Z,12Z))
|
1458.00
|
27
|
3
|
17
|
256.57
|
82
|
|
|
CL(18:0/18:1(11Z)/18:2(9Z,12Z)/18:2(9Z,12Z))
|
1456.00
|
26.3
|
3
|
17
|
256.57
|
81
|
|
|
CL(18:0/18:1(9Z)/18:1(11Z)/18:1(11Z))
|
1460.00
|
27.7
|
3
|
17
|
256.57
|
83
|
|
|
CL(18:0/18:1(9Z)/18:1(11Z)/18:2(9Z,12Z))
|
1458.00
|
27
|
3
|
17
|
256.57
|
82
|
|
|
CL(18:0/18:1(9Z)/18:1(9Z)/18:1(11Z))
|
1460.00
|
27.7
|
3
|
17
|
256.57
|
83
|
|
|
CL(18:1(11Z)/18:1(11Z)/18:2(9Z,12Z)/18:2(9Z,12Z))
|
1454.00
|
25.4
|
3
|
17
|
256.57
|
80
|
|
|
CL(18:1(11Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z))
|
1451.90
|
24.7
|
3
|
17
|
256.57
|
79
|
|
|
CL(18:1(9Z)/18:1(11Z)/18:2(9Z,12Z)/18:2(9Z,12Z))
|
1454.00
|
25.4
|
3
|
17
|
256.57
|
80
|
|
|
1,2-Diacetylethylene
|
112.13
|
-0.1
|
0
|
2
|
34.14
|
2
|
|
|
(E)-2-Methylcrotonoyl-CoA
|
845.60
|
-2.6
|
5
|
24
|
436.66
|
20
|
|
|
[(2R)-2-hexadecanoyloxy-3-octadecanoyloxypropyl] icosanoate
|
891.50
|
25.2
|
0
|
6
|
78.9
|
56
|
|
|
[(2R)-1-hexadecanoyloxy-3-icosanoyloxypropan-2-yl] docosanoate
|
947.60
|
27.4
|
0
|
6
|
78.9
|
60
|
|
|
[(2R)-1-icosanoyloxy-3-octadecanoyloxypropan-2-yl] docosanoate
|
975.60
|
28.4
|
0
|
6
|
78.9
|
62
|
|
|
[(2R)-2-hexadecanoyloxy-3-octadecanoyloxypropyl] docosanoate
|
919.50
|
26.3
|
0
|
6
|
78.9
|
58
|
|
|
Card-20(22)-enolide, 3-[(O-beta-D-glucopyranosyl-(1-->4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-->4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy]-14-hydroxy-, (3beta,5beta)-
|
927.10
|
1.2
|
8
|
18
|
261.98
|
10
|
|
|
3-[5-(1,2-Dihydroxyethyl)-3,4-dihydroxyoxolan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
|
464.40
|
0.4
|
8
|
12
|
210.51
|
5
|
|
|
(2S,3R,4R,5R,6S)-4,5,6-trihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxane-2-carboxylic acid
|
340.28
|
-4
|
7
|
11
|
186.37
|
3
|
|
|
(3R,4R,5R,6S)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2S,9R,10S)-2-hydroxy-9-(hydroxymethyl)-4,5,9,13,20,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-10-yl]oxy]oxan-2-yl]methoxy]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
943.10
|
-0.2
|
11
|
18
|
287.14
|
9
|
|
|
(1R,2S,6S,9R,10R,11R,14S,15S,18S,20S,23R)-20-hydroxy-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosan-17-one
|
413.60
|
5.3
|
1
|
3
|
40.54
|
0
|
|
|
[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (1S,2R,4aS,6aR,6aR,6bR,8R,8aS,9R,10R,11R,12aR,14bS)-8,10,11-trihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate
|
975.10
|
-1.2
|
13
|
20
|
335.44
|
10
|
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