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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
3-Methyloctadecane
|
268.50
|
10.2
|
0
|
0
|
0
|
15
|
|
|
Ergosta-5,7,22,24(28)-tetraen-3beta-ol
|
394.60
|
7.7
|
1
|
1
|
20.23
|
4
|
|
|
(2R,3R,4S,5S,6R)-2-[[(1S,2R,3R,5R,8R)-3-hydroxy-8-[(E,3R)-3-hydroxybut-1-enyl]-1,5-dimethyl-6-oxabicyclo[3.2.1]octan-2-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
404.50
|
-1.7
|
6
|
9
|
149.07
|
5
|
|
|
[(4aR,4bR,7R,8aR,9R,10aR)-7-ethenyl-8a,9-dihydroxy-1,1,4a,7-tetramethyl-2,5,8-trioxo-6,9,10,10a-tetrahydro-4bH-phenanthren-3-yl] acetate
|
404.50
|
1.2
|
2
|
7
|
117.97
|
3
|
|
|
(1R,2S,4S,6R,7R,8S)-6-[(1R)-1-hydroxyethyl]-6-(hydroxymethyl)-1',6'-dimethoxyspiro[10-oxa-5-azatricyclo[5.3.1.04,8]undecane-2,3'-indole]-2'-one
|
404.50
|
-0.1
|
3
|
7
|
100.49
|
4
|
|
|
[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-(4-hydroxyphenyl)ethoxy]oxan-3-yl] 4-hydroxybenzoate
|
420.40
|
1.4
|
5
|
9
|
145.91
|
8
|
|
|
[(1R,2R,3R,4R,6S,8S,9S,10S,11S,13S)-2-acetyloxy-3,8,11-trihydroxy-5,5,9-trimethyl-14-methylidene-15-oxo-6-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate
|
450.50
|
1.1
|
3
|
8
|
130.36
|
4
|
|
|
(6aS,6bS,8aR,9S,11R,12aS,14aS)-3,9-dihydroxy-4,6a,6b,8a,11,14a-hexamethyl-9,11,12,12a,13,14-hexahydro-8H-picene-2,7,10-trione
|
450.60
|
3.2
|
2
|
5
|
91.67
|
0
|
|
|
Gymnasterkoreaside B
|
458.50
|
-2.5
|
7
|
11
|
178.53
|
9
|
|
|
2,2,3-Trimethylcyclopent-3-enecarboxylic acid
|
154.21
|
1.7
|
1
|
2
|
37.3
|
1
|
|
|
Paeonol
|
166.17
|
2
|
1
|
3
|
46.53
|
2
|
|
|
Withaperuvin C
|
486.60
|
1.4
|
4
|
7
|
124.29
|
2
|
|
|
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[2-methyl-5-propan-2-yl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]oxane-3,4,5-triol
|
490.50
|
-1.1
|
8
|
12
|
198.76
|
7
|
|
|
3-(4-Methylcyclohex-3-en-1-yl)butanal
|
166.26
|
2.3
|
0
|
1
|
17.07
|
3
|
|
|
Lyaloside
|
526.50
|
1.3
|
5
|
10
|
163.59
|
8
|
|
|
salasol A
|
532.60
|
2.6
|
1
|
10
|
134.66
|
10
|
|
|
[(2R,3S,4S,5S)-5-[(2R,3R,4S,5S,6R)-6-(acetyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
|
560.50
|
-2
|
7
|
15
|
231.13
|
12
|
|
|
2-[4-[(2S,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxyphenyl]-5-hydroxy-7-methoxychromen-4-one
|
562.50
|
0.2
|
6
|
13
|
197.74
|
6
|
|
|
muricin E
|
568.80
|
7.3
|
4
|
7
|
116.45
|
24
|
|
|
Cis-Corossolone
|
578.90
|
9.4
|
2
|
6
|
93.06
|
26
|
|
|
(2S)-7-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-6,8-dimethyl-2,3-dihydrochromen-4-one
|
594.60
|
-0.5
|
8
|
14
|
225.06
|
7
|
|
|
Betulin palmitate
|
681.10
|
16.2
|
1
|
3
|
46.53
|
18
|
|
|
gamma-Lumicolchicine
|
399.40
|
1.3
|
1
|
6
|
83.09
|
5
|
|
|
Cimiracemoside M
|
704.90
|
4.8
|
3
|
11
|
161.35
|
10
|
|
|
(1R,3S,5R,6S,7S,8R,10S,12S,13R,14R,15R,27S,29R,31R,32R,33S)-6,7,13,14,32,33-hexahydroxy-5-(hydroxymethyl)-12,31-dimethyl-27-pentyl-2,4,9,11,16,28,30-heptaoxatetracyclo[27.4.0.03,8.010,15]tritriacontan-17-one
|
708.80
|
2.2
|
7
|
15
|
223.29
|
5
|
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