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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[(1S,2S,6S,9S,10S,11R,12R,13S,14S,15S,16R,18S,19S,22S,23S,25R)-22-acetyloxy-10,12,14,16,23-pentahydroxy-6,10,19-trimethyl-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-13-yl] (2R)-2-methylbutanoate
|
635.80
|
1.5
|
5
|
11
|
166.22
|
6
|
|
|
2-[[(2R,13bS)-2,11-dimethoxy-2,6,8,9-tetrahydro-1H-indolo[7a,1-a]isoquinolin-12-yl]oxysulfonyl]acetic acid
|
421.50
|
-1
|
1
|
8
|
110.75
|
6
|
|
|
(1S,5R,8R,9S,10R,11R,14R,16S,17R,18R,19S)-10,19-dihydroxy-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecan-3-one
|
327.40
|
0.1
|
2
|
4
|
60.77
|
0
|
|
|
(1S,2R,5R,7R,8R,11R,12R,18S)-12-methyl-6-methylidene-17-oxa-14-azahexacyclo[10.6.3.15,8.01,11.02,8.014,18]docosan-7-ol
|
343.50
|
3.6
|
1
|
3
|
32.7
|
0
|
|
|
(1S,2R,3R,4S,5S,6S,8R,9S,10S,13S,16R,17R,18S)-11-ethyl-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8,9-triol
|
467.60
|
-0.6
|
3
|
8
|
100.85
|
6
|
|
|
(1R,4R,5R,8R,10S,13R,14R,17R,18S,19R)-10-hydroxy-4,5,9,9,13,20,20-heptamethyl-24-oxahexacyclo[17.3.2.01,18.04,17.05,14.08,13]tetracosan-23-one
|
456.70
|
7.9
|
1
|
3
|
46.53
|
0
|
|
|
[(1R,9R,10S,12R,13S,14R,16S,17S,18R)-13-ethyl-14-hydroxy-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-trien-18-yl] 3,4,5-trimethoxybenzoate
|
520.60
|
4
|
1
|
8
|
80.7
|
7
|
|
|
methyl (1S,5R,6R,8R,9R,10S)-8-ethyl-8-hydroxy-4,13-diazahexacyclo[10.7.0.01,5.04,9.06,10.014,19]nonadeca-11,14,16,18-tetraene-11-carboxylate
|
352.40
|
2.1
|
2
|
5
|
61.8
|
3
|
|
|
(2R,4S,5R)-2,3,4-trimethyl-5-phenyl-1,3-oxazolidine
|
191.27
|
2.4
|
0
|
2
|
12.47
|
1
|
|
|
methyl (1S,4aR,5R,6R,7R,7aR)-4a,5,6-trihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate
|
422.40
|
-2.9
|
7
|
12
|
195.6
|
5
|
|
|
Hydrangenoside D
|
578.60
|
0.7
|
5
|
12
|
181.44
|
11
|
|
|
(2S,8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-17-[(2R,5R)-2,5,6-trihydroxy-6-methyl-3-oxoheptan-2-yl]-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,11-dione
|
534.70
|
1.1
|
5
|
8
|
152.36
|
5
|
|
|
[2-[[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl] 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
|
768.80
|
-0.1
|
8
|
18
|
261.98
|
16
|
|
|
methyl (2R,3S,8S,9R,15R)-8-hydroxy-15-methoxy-5-oxo-2,9-bis(prop-1-en-2-yl)-4,14-dioxatricyclo[9.2.1.13,6]pentadeca-1(13),6,11-triene-12-carboxylate
|
402.40
|
3.1
|
1
|
7
|
95.2
|
5
|
|
|
(1R,2S,5R,8R,9R,10S,12R,14R,15R,18S,20R)-1,2,5,15,19,19-hexamethyl-8-propan-2-yl-11-oxahexacyclo[12.8.0.02,10.05,9.010,12.015,20]docosan-18-ol
|
442.70
|
8.3
|
1
|
2
|
32.76
|
1
|
|
|
1-[2,6-Dihydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-(4-hydroxyphenyl)propan-1-one
|
436.40
|
1.2
|
7
|
10
|
177.14
|
7
|
|
|
Monoterpenylmagnolol
|
402.60
|
7.9
|
2
|
2
|
40.46
|
7
|
|
|
1-Undecene
|
154.29
|
6.2
|
0
|
0
|
0
|
8
|
|
|
Peimine
|
431.70
|
4.1
|
3
|
4
|
63.93
|
0
|
|
|
1,2-Dehydro-a-cyperone
|
216.32
|
4
|
0
|
1
|
17.07
|
1
|
|
|
3,4-Dimethyl-5-pentylfuran-2(5H)-one
|
182.26
|
2.9
|
0
|
2
|
26.3
|
4
|
|
|
(2R,3R,4S,5S,6R)-2-[[(3S,7R,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-7-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
592.80
|
6.6
|
5
|
7
|
119.61
|
9
|
|
|
[(1R,2R,4R,8S,9R,10S,12S,13S,16R)-2,8,16-trihydroxy-5,5,9-trimethyl-14-methylidene-15-oxo-12-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate
|
392.50
|
1.5
|
3
|
6
|
104.06
|
2
|
|
|
Justiciresinol
|
390.40
|
2.4
|
3
|
7
|
97.61
|
7
|
|
|
Norsolanadione
|
196.29
|
1.8
|
0
|
2
|
34.14
|
6
|
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