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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[(1aS,2aR,5R,5aS,6S,7aR)-5-hydroxy-2a,7a-dimethyl-5-propan-2-yl-2,3,4,5a,6,7-hexahydro-1aH-azuleno[6,7-b]oxiren-6-yl] 4-hydroxybenzoate
|
374.50
|
3.8
|
2
|
5
|
79.29
|
4
|
|
|
[(9R,10R)-10-hydroxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl] (E)-2-methylbut-2-enoate
|
344.40
|
2.6
|
1
|
6
|
85.97
|
3
|
|
|
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(E,2S)-4-[(1S,4R,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]but-3-en-2-yl]oxyoxane-3,4,5-triol
|
388.50
|
-0.5
|
5
|
8
|
132.14
|
5
|
|
|
[(2R,3R,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate
|
520.40
|
0.7
|
6
|
13
|
205.58
|
7
|
|
|
2-Methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2-butenal
|
206.32
|
3.4
|
0
|
1
|
17.07
|
3
|
|
|
[(1S,2R,3R,4R,5R,6S,7S,8R,9R,10R,13R,14R,16S,17S,18R)-5,7,14-trihydroxy-6,8,16,18-tetramethoxy-13-(methoxymethyl)-11-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate
|
603.70
|
-0.1
|
3
|
11
|
136.38
|
9
|
|
|
(1R,4aR,4bR,7R,8S,10aR)-7-ethenyl-8-hydroxy-1,4a,7-trimethyl-3,4,4b,5,6,8,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid
|
318.40
|
4
|
2
|
3
|
57.53
|
2
|
|
|
[(1S,2R,6R)-2-[2,6-dihydroxy-4-[6-hydroxy-7-(3-methylbut-2-enyl)-1-benzofuran-2-yl]phenyl]-6-(2,4-dihydroxyphenyl)-4-methylcyclohex-3-en-1-yl]-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]methanone
|
716.80
|
9.8
|
7
|
9
|
171.82
|
9
|
|
|
methyl (2S)-2-[(1S,2R,5R,6R,11S,12R,14S,15R,17S,18S)-6-(furan-3-yl)-11,14,17-trihydroxy-1,5,15-trimethyl-8,13-dioxo-7-oxapentacyclo[13.2.1.02,11.05,10.012,17]octadec-9-en-18-yl]-2-hydroxyacetate
|
516.50
|
-0.2
|
4
|
10
|
163.73
|
4
|
|
|
[3-(4-hydroxy-3,5-dimethoxyphenyl)-7-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,8-dioxatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,9-pentaen-11-ylidene]oxidanium
|
531.50
|
-0.5
|
6
|
11
|
178.83
|
6
|
|
|
I(2),Imicro-Carotene-3,3a(2),6a(2)-triol, 5a(2),18a(2)-didehydro-4a(2),5a(2)-dihydro-, (3R,3a(2)S,6a(2)S)-
|
584.90
|
10.1
|
3
|
3
|
60.69
|
10
|
|
|
methyl (E,2R)-2-hydroxyoctadec-9-enoate
|
312.50
|
6.9
|
1
|
3
|
46.53
|
16
|
|
|
(2R)-7-chloro-4-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4-benzoxazin-3-one
|
377.73
|
-1
|
5
|
9
|
149.15
|
3
|
|
|
(2R,3S,4S,5R,6R)-5-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-6-[(E,2R)-4-[(3R,4S)-3,4-dihydroxy-2,6,6-trimethylcyclohexen-1-yl]but-3-en-2-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol
|
520.60
|
-2.3
|
8
|
12
|
198.76
|
8
|
|
|
(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-2-[(3R)-oct-1-en-3-yl]oxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
584.60
|
-2.7
|
9
|
15
|
237.45
|
13
|
|
|
(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(3R)-8-hydroxyoct-1-en-3-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
468.50
|
-2.2
|
8
|
12
|
198.76
|
12
|
|
|
6-Methoxy-3-(4-methoxyphenyl)-8,8-dimethylpyrano[2,3-h]chromen-4-one
|
364.40
|
4
|
0
|
5
|
57.9
|
3
|
|
|
1-[1,5-dihydroxy-3-methyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxynaphthalen-2-yl]ethanone
|
526.50
|
-1.2
|
8
|
13
|
215.83
|
6
|
|
|
[(2R,3S,4S,5R,6S)-6-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-[5-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl]oxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate
|
796.70
|
-2
|
9
|
20
|
303.19
|
12
|
|
|
(1R,2S,3S,7S,9R,12S,13R,14R,15R,16R)-3,14,15-trihydroxy-2,6,13,16-tetramethyl-10-oxatetracyclo[7.6.1.02,7.012,16]hexadec-5-ene-4,11-dione
|
350.40
|
0.4
|
3
|
6
|
104.06
|
0
|
|
|
[(1R,5R,6R,8R,9R,11R,12S,15S,16R)-6-benzamido-15-[(1S)-1-(dimethylamino)ethyl]-5-hydroxy-7,7,12,16-tetramethyl-9-tetracyclo[9.7.0.03,8.012,16]octadec-3-enyl] acetate
|
564.80
|
6.3
|
2
|
5
|
78.87
|
6
|
|
|
4-[(2S,3S)-3-(3,5-dihydroxyphenyl)-4-hydroxy-6-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-2-yl]benzene-1,3-diol
|
470.50
|
5
|
6
|
7
|
130.61
|
4
|
|
|
5-[(2S,3S)-4-hydroxy-6-[(2S,3S)-4-hydroxy-2-(4-hydroxyphenyl)-6-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-3-yl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol
|
680.70
|
7.7
|
7
|
9
|
160.07
|
6
|
|
|
2-Amino-5-[(3-methyl-2,5-dihydrofuran-2-yl)amino]-5-oxopentanoic acid
|
228.24
|
-3.6
|
3
|
5
|
101.65
|
5
|
|
|
[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-3-[(2S,3R,4R,5S,6S)-4-[(2S,3R,4R,5R)-3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
1499.60
|
-3.9
|
19
|
34
|
530.66
|
18
|
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