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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[(1S,2R,3R,4S,5R,6S,8R,9S,10S,13S,16S,17R,18S)-11-ethyl-8,9-dihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methyl 2-[(4-amino-4-oxobutanoyl)amino]benzoate
|
685.80
|
0.2
|
4
|
11
|
179.11
|
13
|
|
|
[(1S,3R,4R,6S,8S,9R,10R,13R,14R,16R)-3,4,6,9,14-pentahydroxy-5,5,9,14-tetramethyl-16-tetracyclo[11.2.1.01,10.04,8]hexadecanyl] propanoate
|
426.50
|
1.3
|
5
|
7
|
127.45
|
3
|
|
|
(3R,3aS,5aS,6R,9aR,9bS)-6,9a-dihydroxy-3,5a-dimethyl-9-methylidene-3,3a,4,5,6,7,8,9b-octahydrobenzo[g][1]benzofuran-2-one
|
266.33
|
1.1
|
2
|
4
|
66.76
|
0
|
|
|
(2S,3S,4R,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-4,4,6a,6b,11,11,14b-heptamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4-bis[[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy]-5-hydroxyoxane-2-carboxylic acid
|
1059.20
|
1.8
|
12
|
22
|
350.74
|
13
|
|
|
Ganoderic acid U
|
472.70
|
6.3
|
3
|
4
|
77.76
|
5
|
|
|
(1R,2R,5R,7S,10R,11R,14R,15R,16S,17R,20R)-2,6,6,10,16,17,20-heptamethylhexacyclo[12.8.1.01,14.02,11.05,10.015,20]tricosan-7-ol
|
426.70
|
9.6
|
1
|
1
|
20.23
|
0
|
|
|
(1R,2R,3R,6R,8S,12R,13S,14R,15R,16S,17R)-2,3,12,15,16-pentahydroxy-13,17-dimethyl-9-methylidene-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-10-en-4-one
|
394.40
|
-1.7
|
5
|
8
|
136.68
|
0
|
|
|
methyl (1R,2S,3R,6R,8S,9S,13S,14R,15R,16S,17S)-3-acetyloxy-10,15,16-trihydroxy-9,13-dimethyl-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadecane-17-carboxylate
|
482.50
|
-0.5
|
3
|
11
|
165.89
|
4
|
|
|
(3S,5S,8R,9S,10S,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylideneoctan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
|
428.70
|
10.5
|
1
|
1
|
20.23
|
7
|
|
|
Benzene, 1-(1,9-dimethyl-5-methylene-8-decenyl)-4-methyl-
|
270.50
|
7.5
|
0
|
0
|
0
|
8
|
|
|
[(1S,2R,3R,4R,5S,6S,8R,9R,10R,13S,16S,17R,18R)-8-acetyloxy-11-ethyl-5-hydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] (E)-3-phenylprop-2-enoate
|
639.80
|
2.7
|
1
|
10
|
112.99
|
12
|
|
|
[(1S,2R,3R,4R,5S,6S,8R,9R,10R,13S,16S,17R,18R)-8-acetyloxy-11-ethyl-5-hydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate
|
613.70
|
2.2
|
1
|
10
|
112.99
|
11
|
|
|
(1S,2R,4S,5R,10S,11R,13S,14R,15R,18R)-14-hydroxy-10,15-dimethyl-5-[1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-3,6,12,17-tetraoxahexacyclo[8.7.1.02,4.04,9.011,13.015,18]octadec-8-ene-7,16-dione
|
526.50
|
-2.9
|
5
|
13
|
197.27
|
4
|
|
|
(3R)-2'-methylsulfanylspiro[1H-indole-3,5'-4H-1,3-thiazole]-2-one
|
250.30
|
1.8
|
1
|
4
|
92.06
|
1
|
|
|
1,5,5,8-Tetramethyl-12-thiabicyclo[9.1.0]dodeca-3,7-diene, 9CI
|
236.40
|
4.6
|
0
|
1
|
25.3
|
0
|
|
|
3-[(3S,5R,8R,9S,10R,13R,14S,17R)-3-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-14-hydroxy-10-(hydroxymethyl)-13-methyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
|
698.80
|
-0.7
|
8
|
14
|
225.06
|
7
|
|
|
(1S,2R,3R,4S,5S,6S,8S,9S,10R,13S,16R,17R)-11-ethyl-6-methoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8,16-triol
|
407.50
|
0.4
|
3
|
6
|
82.39
|
4
|
|
|
[(2E,8E,10E)-trideca-2,8,10,12-tetraen-4,6-diynyl] acetate
|
226.27
|
3.5
|
0
|
2
|
26.3
|
6
|
|
|
4-[13-[5-[5-(1-hydroxy-5-oxoundecyl)oxolan-2-yl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one
|
604.90
|
10.2
|
1
|
6
|
82.06
|
25
|
|
|
(2S)-3-methyl-2-(3-methylbut-2-enyl)-2,5-dihydrofuran
|
152.23
|
2.2
|
0
|
1
|
9.23
|
2
|
|
|
(2R)-3-methyl-2-(3-methylbut-2-enyl)-2,5-dihydrofuran
|
152.23
|
2.2
|
0
|
1
|
9.23
|
2
|
|
|
(2R,3R,4S,5S,6R)-2-[[(1R,4aS,6R,8aR)-6-(2-hydroxypropan-2-yl)-8a-methyl-4-methylidene-1,2,3,4a,5,6,7,8-octahydronaphthalen-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
400.50
|
0.6
|
5
|
7
|
119.61
|
4
|
|
|
(1S)-3-methyl-6-propan-2-ylidenecyclohex-2-en-1-ol
|
152.23
|
1.7
|
1
|
1
|
20.23
|
0
|
|
|
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[(E)-3-hydroxyprop-1-enyl]-2-methoxyphenoxy]oxan-2-yl]methyl 3,5-dimethoxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxybenzoate
|
668.60
|
-0.5
|
7
|
16
|
232.52
|
13
|
|
|
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-hydroxy-3-methoxyphenoxy)oxan-2-yl]methyl 3,5-dimethoxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxybenzoate
|
628.60
|
-0.7
|
7
|
16
|
232.52
|
11
|
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