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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Valoneic acid dilactone
|
470.30
|
1.4
|
7
|
13
|
228.33
|
3
|
|
|
[(1S,2S,3S,4S,5S,6E,10R)-2-acetyloxy-4-hydroxy-6,10-dimethyl-3-propan-2-yl-11-oxabicyclo[8.1.0]undec-6-en-5-yl] (E)-2-methylbut-2-enoate
|
394.50
|
3.2
|
1
|
6
|
85.36
|
6
|
|
|
[(1S,2S,3S,4S,5S,6E,10R)-2,4-diacetyloxy-6,10-dimethyl-3-propan-2-yl-11-oxabicyclo[8.1.0]undec-6-en-5-yl] (E)-2-methylbut-2-enoate
|
436.50
|
3.8
|
0
|
7
|
91.43
|
8
|
|
|
(2R)-2,6,6-trimethyl-4-methylidenespiro[1,2,5,7-tetrahydroindene-3,1'-cyclopropane]
|
202.33
|
3.8
|
0
|
0
|
0
|
0
|
|
|
(2R)-2,4,6,6-tetramethylspiro[2,5-dihydro-1H-indene-3,1'-cyclopropane]
|
202.33
|
3.8
|
0
|
0
|
0
|
0
|
|
|
(2R,7aR)-2,4,6,6-tetramethylspiro[2,5,7,7a-tetrahydro-1H-indene-3,1'-cyclopropane]
|
204.35
|
4.4
|
0
|
0
|
0
|
0
|
|
|
[(1R,15R,17R,19R,20R,21S)-21-acetyloxy-19-(hydroxymethyl)-3-oxo-15-pentyl-2,16,18-trioxabicyclo[15.4.0]henicosan-20-yl] acetate
|
528.70
|
6.1
|
1
|
9
|
117.59
|
9
|
|
|
[(1R,14R,16R,18R,19R,20S)-20-acetyloxy-14-hexyl-18-(hydroxymethyl)-3-oxo-2,15,17-trioxabicyclo[14.4.0]icosan-19-yl] acetate
|
528.70
|
6.1
|
1
|
9
|
117.59
|
10
|
|
|
[(1R,15R,17R,19R,20R,21S)-21-acetyloxy-20-hydroxy-3-oxo-15-pentyl-2,16,18-trioxabicyclo[15.4.0]henicosan-19-yl]methyl acetate
|
528.70
|
6.1
|
1
|
9
|
117.59
|
9
|
|
|
[(1R,14R,16R,18R,19R,20S)-20-acetyloxy-14-hexyl-19-hydroxy-3-oxo-2,15,17-trioxabicyclo[14.4.0]icosan-18-yl]methyl acetate
|
528.70
|
6.1
|
1
|
9
|
117.59
|
10
|
|
|
[(1R,14R,16R,18R,19R,20S)-14-hexyl-19-hydroxy-18-(hydroxymethyl)-3-oxo-2,15,17-trioxabicyclo[14.4.0]icosan-20-yl] acetate
|
486.60
|
6.1
|
2
|
8
|
111.52
|
8
|
|
|
[(1R,15R,17R,19R,20S,21S)-20,21-dihydroxy-3-oxo-15-pentyl-2,16,18-trioxabicyclo[15.4.0]henicosan-19-yl]methyl acetate
|
486.60
|
5.5
|
2
|
8
|
111.52
|
7
|
|
|
[(1R,14R,16R,18R,19S,20S)-14-hexyl-19,20-dihydroxy-3-oxo-2,15,17-trioxabicyclo[14.4.0]icosan-18-yl]methyl acetate
|
486.60
|
5.5
|
2
|
8
|
111.52
|
8
|
|
|
(1R,14R,16R,18R,19S,20S)-14-hexyl-19,20-dihydroxy-18-(hydroxymethyl)-2,15,17-trioxabicyclo[14.4.0]icosan-3-one
|
444.60
|
5.5
|
3
|
7
|
105.45
|
6
|
|
|
3-[[(1R,15R,17R,19R,20R,21S)-19-(acetyloxymethyl)-20-hydroxy-3-oxo-15-pentyl-2,16,18-trioxabicyclo[15.4.0]henicosan-21-yl]oxy]-3-oxopropanoic acid
|
572.70
|
5.8
|
2
|
11
|
154.89
|
11
|
|
|
3-[[(1R,14R,16R,18R,19R,20S)-18-(acetyloxymethyl)-14-hexyl-19-hydroxy-3-oxo-2,15,17-trioxabicyclo[14.4.0]icosan-20-yl]oxy]-3-oxopropanoic acid
|
572.70
|
5.8
|
2
|
11
|
154.89
|
12
|
|
|
Tingenone
|
420.60
|
5.4
|
1
|
3
|
54.37
|
0
|
|
|
[(2S,3S,4R,5R,6R)-3,5-dihydroxy-2-methyl-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxyoxan-2-yl]methoxy]oxan-4-yl] hydrogen sulfate
|
803.00
|
2
|
6
|
15
|
228.51
|
7
|
|
|
(1R,4aR,4bR,6S,7S,10aR)-6,7-dihydroxy-1,4a-dimethyl-9-oxo-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid
|
350.40
|
2.2
|
3
|
5
|
94.83
|
2
|
|
|
(3S,7S,8R,9S,10S,13R,14S,17R)-7-methoxy-4,4,9,13,14-pentamethyl-17-[(2R,4E)-6-methylhepta-4,6-dien-2-yl]-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
|
454.70
|
8.5
|
1
|
2
|
29.46
|
5
|
|
|
(2R,4aS,6aS,8aR,10R,12aS,14aS,14bR)-10-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy-2,4a,6a,9,9,12a,14a-heptamethyl-1,3,4,5,6,8,8a,10,11,12,14,14b-dodecahydropicene-2-carboxylic acid
|
630.90
|
9.2
|
2
|
6
|
93.06
|
6
|
|
|
4-[3-[(3,4-Dimethoxyphenyl)methyl]-4-methoxy-2-(methoxymethyl)butyl]-1,2-dimethoxybenzene
|
418.50
|
4.2
|
0
|
6
|
55.38
|
13
|
|
|
4-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]phenol
|
504.80
|
10.6
|
1
|
2
|
29.46
|
7
|
|
|
(1R,3S,4S,5S)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,5-dihydroxy-4-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid
|
560.50
|
1.8
|
6
|
13
|
209.51
|
11
|
|
|
(2S,3R,4R,5R,6S)-2-[(2R,3S,4S,5R,6R)-4-hydroxy-2-(hydroxymethyl)-6-[(1R,2S,3'S,4S,5'S,6S,7S,8R,9S,12S,13S,16S,18R)-5',7,9,13-tetramethyl-3'-[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxyspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl]oxy-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
1005.10
|
-0.8
|
11
|
21
|
314.83
|
9
|
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