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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Citronellyl isovalerate
|
240.38
|
5
|
0
|
2
|
26.3
|
9
|
|
|
(7S,8R)-6-Methylidene-5-oxo-8-(3,4,5-trimethoxyphenyl)-7,8-dihydrobenzo[f][1,3]benzodioxole-7-carboxylic acid
|
412.40
|
3
|
1
|
8
|
100.52
|
5
|
|
|
(1R,2S,4R,5R,6R,7R,10S,11R,14S,16R)-5,14-dihydroxy-7-methyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecane-11-carbaldehyde
|
414.50
|
1.4
|
2
|
6
|
100.27
|
2
|
|
|
(2R,3R,4S,5S,6R)-2-[[(1R,2R,4R,4aR,6S,8aR)-2,4-dihydroxy-4,8a-dimethyl-6-prop-1-en-2-yl-1,2,3,4a,5,6,7,8-octahydronaphthalen-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
416.50
|
0.6
|
6
|
8
|
139.84
|
4
|
|
|
1,8-dihydroxy-3-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanthracene-9,10-dione
|
432.40
|
0.9
|
6
|
10
|
173.98
|
3
|
|
|
(1R,2S,14S,15R)-4,25-dimethoxy-8,12,17,21-tetraoxaheptacyclo[13.11.0.02,14.03,11.05,9.018,26.020,24]hexacosa-3(11),4,6,9,18(26),19,22,24-octaene-13,16-dione
|
432.40
|
3.2
|
0
|
8
|
97.34
|
2
|
|
|
6-Deoxoteasterone
|
434.70
|
7.3
|
3
|
3
|
60.69
|
5
|
|
|
Calarene epoxide
|
220.35
|
3.7
|
0
|
1
|
12.53
|
0
|
|
|
methyl (2S,3R,4S)-3-ethenyl-4-[(E)-4-methoxy-4-oxobut-1-enyl]-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate
|
444.40
|
-0.6
|
4
|
11
|
161.21
|
10
|
|
|
11-debenzoyloxyorthosiphol D
|
448.50
|
2
|
2
|
8
|
127.2
|
5
|
|
|
(2R,3R,4S,5S,6R)-2-[(E)-3-(4-methoxyphenyl)prop-2-enoxy]-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol
|
458.50
|
-2
|
6
|
11
|
167.53
|
8
|
|
|
Meliastatin 4
|
500.70
|
5.4
|
2
|
5
|
83.83
|
7
|
|
|
[(3S,4R,5S)-5-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(2-phenylethoxy)oxan-3-yl]oxy-3,4-dihydroxyoxolan-3-yl]methyl 4-hydroxybenzoate
|
536.50
|
0
|
6
|
12
|
184.6
|
11
|
|
|
Tristearin
|
891.50
|
25.2
|
0
|
6
|
78.9
|
56
|
|
|
2''-O-Galloylisoorientin
|
600.50
|
1
|
10
|
15
|
268.04
|
6
|
|
|
Jimenezin
|
622.90
|
9.7
|
3
|
7
|
105.45
|
24
|
|
|
[(1S,2R,4S,6S,7S,8R,9S,10S,11R,12S,13R)-2,7-diacetyloxy-8-benzoyloxy-6-hydroxy-5,5,9,13-tetramethyl-12-(methylaminomethyl)-14-oxo-15,16-dioxatetracyclo[11.2.1.01,10.04,9]hexadecan-11-yl] benzoate
|
707.80
|
4.4
|
2
|
13
|
172.99
|
12
|
|
|
Tripalmitin
|
807.30
|
21.9
|
0
|
6
|
78.9
|
50
|
|
|
8-Methylnonanoic acid
|
172.26
|
3.8
|
1
|
2
|
37.3
|
7
|
|
|
(2S,3R,4S,5R)-2-[(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-2-[[(1S,2R,5R,7S,10S,11R,12R,15S,16S,17R,20S,21S,23R)-12-hydroxy-20-(hydroxymethyl)-1,2,6,6,10,16,17-heptamethyl-22-oxahexacyclo[12.9.0.02,11.05,10.015,20.021,23]tricos-13-en-7-yl]oxy]-6-methyloxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol
|
913.10
|
1
|
10
|
17
|
270.21
|
8
|
|
|
Namonin D
|
927.00
|
-1.2
|
9
|
19
|
282.21
|
8
|
|
|
Lapathoside B
|
1016.90
|
3.6
|
8
|
22
|
322.42
|
24
|
|
|
[(2S,3R,4S,5R)-2-[(2S,3R,4S,5S)-3-acetyloxy-5-hydroxy-2-[[(3S,8R,9S,10R,13S,14S,16S,17S)-17-hydroxy-10,13-dimethyl-17-[(2S)-6-methyl-3-oxoheptan-2-yl]-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-16-yl]oxy]oxan-4-yl]oxy-4,5-dihydroxyoxan-3-yl] 3,4,5-trimethoxybenzoate
|
1257.40
|
0.5
|
11
|
27
|
393.73
|
23
|
|
|
Trimyristin
|
723.20
|
18.7
|
0
|
6
|
78.9
|
44
|
|
|
Benzenamine, 2-(1-cyclohexen-1-yl)-
|
173.25
|
3
|
1
|
1
|
26.02
|
1
|
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