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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
rhodomollein I
|
368.50
|
-0.6
|
6
|
6
|
121.38
|
0
|
|
|
(1S,4R,9R,10R,13R,14R)-5,5,9-trimethyl-14-[(1S,4R,9R,10R,13R,14R)-5,5,9-trimethyl-14-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]tetracyclo[11.2.1.01,10.04,9]hexadecane
|
518.90
|
14.1
|
0
|
0
|
0
|
1
|
|
|
(22R,25R)-spirosolan-3beta-ol
|
415.70
|
6.2
|
2
|
3
|
41.49
|
0
|
|
|
2-(4-Methyl-1,3-pentadienyl)anthraquinone
|
288.30
|
5.8
|
0
|
2
|
34.14
|
2
|
|
|
[(1S,2R,4S,7S,8S,10S,11R,12R,18R,20R)-7-(furan-3-yl)-10-hydroxy-1,8,12,17,17-pentamethyl-5,15-dioxo-3,6,16-trioxapentacyclo[9.9.0.02,4.02,8.012,18]icos-13-en-20-yl] acetate
|
514.60
|
2.9
|
1
|
9
|
124.8
|
3
|
|
|
[(1S,2R,4S,7S,8S,11R,12S,18R,20R)-7-(furan-3-yl)-1,8,12,17,17-pentamethyl-5,10,15-trioxo-3,6,16-trioxapentacyclo[9.9.0.02,4.02,8.012,18]icos-13-en-20-yl] acetate
|
512.50
|
2.6
|
0
|
9
|
121.64
|
3
|
|
|
(1S,2R,4S,7S,8S,11R,12S,18R,20R)-7-(furan-3-yl)-20-hydroxy-1,8,12,17,17-pentamethyl-3,6,16-trioxapentacyclo[9.9.0.02,4.02,8.012,18]icos-13-ene-5,10,15-trione
|
470.50
|
2
|
1
|
8
|
115.57
|
1
|
|
|
[(1S,2R,4S,7S,8S,10S,11R,12R,13S,18R,20R)-13-acetyloxy-7-(furan-3-yl)-10-hydroxy-1,8,12,17,17-pentamethyl-5,15-dioxo-3,6,16-trioxapentacyclo[9.9.0.02,4.02,8.012,18]icosan-20-yl] acetate
|
574.60
|
2.3
|
1
|
11
|
151.1
|
5
|
|
|
[(1S,2R,4S,7S,8S,11R,12S,13S,18R,20R)-13-acetyloxy-7-(furan-3-yl)-1,8,12,17,17-pentamethyl-5,10,15-trioxo-3,6,16-trioxapentacyclo[9.9.0.02,4.02,8.012,18]icosan-20-yl] acetate
|
572.60
|
2
|
0
|
11
|
147.94
|
5
|
|
|
(2Z)-6-hydroxy-5-methyl-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2-[(3,4,5-trimethoxyphenyl)methylidene]-1-benzofuran-3-one
|
504.50
|
1.9
|
4
|
11
|
153.37
|
6
|
|
|
[(1R,2R,6S)-2-[4,6-dihydroxy-2-(3-hydroxyphenyl)-1-benzofuran-5-yl]-6-(2,4-dihydroxyphenyl)-4-methylcyclohex-3-en-1-yl]-(2,4-dihydroxyphenyl)methanone
|
580.60
|
6
|
7
|
9
|
171.82
|
5
|
|
|
(11S,15R,18R,19S)-14-methyl-5,7,20,21-tetraoxa-14-azahexacyclo[16.2.1.02,10.04,8.011,15.011,19]henicosa-2,4(8),9-triene
|
301.34
|
1.8
|
0
|
5
|
40.16
|
0
|
|
|
methyl (1R,2S,3R,6R,8S,9S,10S,13S,14R,15R,16S,17S)-10,15,16-trihydroxy-9,13-dimethyl-3-(3-methylbut-2-enoyloxy)-4-oxo-11-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-11-ene-17-carboxylate
|
684.70
|
-0.4
|
7
|
16
|
248.2
|
8
|
|
|
[(2R,3S,4S,5R,6S)-6-[4-(5,7-dihydroxy-4-oxochromen-2-yl)-2-methoxyphenoxy]-3,4-dihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxan-2-yl]methyl (Z)-3-(4-hydroxyphenyl)prop-2-enoate
|
754.70
|
4.9
|
6
|
15
|
231.88
|
13
|
|
|
[(2R,3S,4S,5R,6S)-6-[4-(5,7-dihydroxy-4-oxochromen-2-yl)-2-methoxyphenoxy]-3,4-dihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
|
754.70
|
4.9
|
6
|
15
|
231.88
|
13
|
|
|
[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl] 4-hydroxybenzoate
|
622.60
|
3.3
|
5
|
13
|
198.51
|
13
|
|
|
5,7-dihydroxy-2,2,6-trimethyl-8-[[2,4,6-trihydroxy-3-methyl-5-(2-methylpropanoyl)phenyl]methyl]-3H-chromen-4-one
|
444.50
|
4.7
|
5
|
8
|
144.52
|
4
|
|
|
(4R)-3-(hydroxymethyl)-5,5-dimethyl-4-[(3S)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]cyclohex-2-en-1-one
|
388.50
|
-0.9
|
5
|
8
|
136.68
|
7
|
|
|
Lauroside A
|
388.50
|
-0.7
|
5
|
8
|
136.68
|
5
|
|
|
(2S,3R,4S,5R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxyoxane-3,4,5-triol
|
419.40
|
|
7
|
9
|
171.37
|
3
|
|
|
(3S,3aR,4S,6aR,9aR,9bR)-3-(chloromethyl)-3,4,8-trihydroxy-9-methyl-6-methylidene-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-2-one
|
314.76
|
0.2
|
3
|
5
|
86.99
|
1
|
|
|
(3R,3aR,6aR,9aR,9bR)-3,8-dihydroxy-3-(hydroxymethyl)-9-methyl-6-methylidene-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-2-one
|
280.32
|
0.4
|
3
|
5
|
86.99
|
1
|
|
|
(3S,4R)-3-hydroxy-4-[(R)-hydroxy-(4-hydroxy-3-methoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
|
390.40
|
1.9
|
4
|
8
|
125.68
|
6
|
|
|
(1S,7S)-3,3,7-trimethyl-8-methylidenetricyclo[5.4.0.02,9]undecane
|
204.35
|
5.1
|
0
|
0
|
0
|
0
|
|
|
(1R,2R,6S,7R,8R)-7-(3,4-dimethoxyphenyl)-2,3-dimethoxy-8-methyl-6-prop-2-enyltricyclo[4.2.0.02,8]oct-3-en-5-one
|
370.40
|
2.6
|
0
|
5
|
53.99
|
7
|
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