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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(7aS)-7a-hydroxy-2-(2-phenylethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-1,3-dione
|
260.29
|
1
|
1
|
3
|
60.85
|
3
|
|
|
[(1S,2S,3aR,5R,6E,11R,12E,13aS)-3a-acetyloxy-1-benzoyloxy-2,5,8,8,12-pentamethyl-4,9-dioxo-2,3,5,10,11,13a-hexahydro-1H-cyclopenta[12]annulen-11-yl] benzoate
|
600.70
|
6.2
|
0
|
8
|
113.04
|
8
|
|
|
[(1R,3R,4R,5R,7S,8S,9R,10E,12S,13S,14S)-4,9,13-triacetyloxy-3,6,6,10,14-pentamethyl-2-oxo-16-oxatetracyclo[10.3.1.01,12.05,7]hexadec-10-en-8-yl] benzoate
|
596.70
|
3.9
|
0
|
10
|
134.8
|
9
|
|
|
(s)-5-Hydroxy-3,4-dimethyl-5-pentylfuran-2(5h)-one
|
198.26
|
2.1
|
1
|
3
|
46.53
|
4
|
|
|
5-[(1R)-1-[(4R,6S,8aR)-6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylbutyl]-2,4,6-trihydroxybenzene-1,3-dicarbaldehyde
|
472.60
|
6.2
|
4
|
6
|
115.06
|
7
|
|
|
3-[(1R,4S,7R,10S,13S,16S,19S,22S,25R,28S,31S,34S,40S,46S,52S,55R,61S,64S,67R,70S,73S,79S,82R,85S,88S,91S,94S,97S)-10-(2-aminoacetyl)-13,19,79-tris(4-aminobutyl)-34,40-bis(2-amino-2-oxoethyl)-97-[(2S)-butan-2-yl]-64-(1-hydroxyethyl)-28-[(1R)-1-hydroxyethyl]-4,88,94-tris(hydroxymethyl)-16,85-bis[(4-hydroxyphenyl)methyl]-73-(1H-indol-3-ylmethyl)-52,91-dimethyl-31-(2-methylpropyl)-1a,2,5,8,11,14,17,20,23,26,29,32,35,38,41,47,50,53,56,59,62,65,68,71,74,77,80,83,86,89,92,95,98-tritriacontaoxo-22,70-di(propan-2-yl)-4a,5a,8a,9a,12a,13a-hexathia-2a,3,6,9,12,15,18,21,24,27,30,33,36,39,42,48,51,54,57,60,63,66,69,72,75,78,81,84,87,90,93,96,99-tritriacontazapentacyclo[53.47.4.47,67.425,82.042,46]tetradecahectan-61-yl]propanoic acid
|
3393.90
|
-11.7
|
47
|
55
|
1505.34
|
38
|
|
|
[(1S,3S,8E,10R,12S,16S)-16-hydroxy-5-(methoxymethyl)-10-methyl-6-oxo-7,13,15-trioxatetracyclo[8.4.1.11,12.04,8]hexadeca-4,8-dien-3-yl] (E)-2-methylbut-2-enoate
|
406.40
|
0
|
1
|
8
|
100.52
|
5
|
|
|
[(1R,3E,5R,7S,9E,11R,12R,13S,14S)-11-acetyloxy-10-(acetyloxymethyl)-1-hydroxy-3,6,6,14-tetramethyl-2-oxo-13-tricyclo[10.3.0.05,7]pentadeca-3,9-dienyl] benzoate
|
538.60
|
4.1
|
1
|
8
|
116.2
|
8
|
|
|
1-(2,4-Dihydroxy-6-methoxy-3,5-dimethylphenyl)-3-methylbutan-1-one
|
252.31
|
3.4
|
2
|
4
|
66.76
|
4
|
|
|
(3S,6E)-3,7,11-trimethyldodeca-1,6,10-triene
|
206.37
|
6
|
0
|
0
|
0
|
7
|
|
|
(1S,2S,6S,7R,12R,14S,15S,19S,20R)-17-methoxy-7,15,19,20-tetramethyl-3,5,11-trioxapentacyclo[10.7.1.02,6.08,20.014,19]icosa-8,16-diene-10,18-dione
|
388.50
|
2.6
|
0
|
6
|
71.06
|
1
|
|
|
(1S,4S,5R,6R,9S,10S,13S)-5-(hydroxymethyl)-5-methyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-6-ol
|
290.40
|
4.3
|
2
|
2
|
40.46
|
1
|
|
|
5,9,10-Trihydroxy-2,2-dimethyl-3,4-dihydropyrano[3,2-b]xanthen-6-one
|
328.30
|
3.4
|
3
|
6
|
100.13
|
0
|
|
|
[(1R,3R,4R,5R,7S,8S,9R,10E,12S,13S,14S)-4-acetyloxy-9-hydroxy-3,6,6,10,14-pentamethyl-13-[(E)-2-methylbut-2-enoyl]oxy-2-oxo-16-oxatetracyclo[10.3.1.01,12.05,7]hexadec-10-en-8-yl] (E)-2-methylbut-2-enoate
|
572.70
|
4.1
|
1
|
9
|
128.73
|
8
|
|
|
1-O-methyl 3-O-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-prop-2-enylphenoxy)oxan-2-yl]methyl] propanedioate
|
396.40
|
1.2
|
3
|
9
|
131.75
|
10
|
|
|
[(1R,2R,3R,4S,7R,8R,15R,17S,19S)-8-(furan-3-yl)-2-[(1R)-1-hydroxy-2-methoxy-2-oxoethyl]-1,3,7-trimethyl-19-[(E)-2-methylbut-2-enoyl]oxy-10-oxo-9,16-dioxapentacyclo[13.3.1.03,17.04,13.07,12]nonadeca-11,13-dien-15-yl] pentanoate
|
666.80
|
4.8
|
1
|
11
|
147.8
|
12
|
|
|
[(1R,2R,3R,4S,7R,8R,15R,17S,19S)-8-(furan-3-yl)-2-[(1R)-1-hydroxy-2-methoxy-2-oxoethyl]-1,3,7-trimethyl-19-[(E)-2-methylbut-2-enoyl]oxy-10-oxo-9,16-dioxapentacyclo[13.3.1.03,17.04,13.07,12]nonadeca-11,13-dien-15-yl] cyclopropanecarboxylate
|
650.70
|
3.9
|
1
|
11
|
147.8
|
10
|
|
|
(1S,13S,16S,18S)-18-methoxy-15-methyl-12-(3-methylbutyl)-12-oxido-5,7-dioxa-15-aza-12-azoniapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,19-tetraen-14-one
|
414.50
|
2.6
|
0
|
5
|
71.06
|
4
|
|
|
[(1R,3E,5R,7S,10E,12S,13S,14S)-1-acetyloxy-10-(hydroxymethyl)-3,6,6,14-tetramethyl-2-oxo-13-tricyclo[10.3.0.05,7]pentadeca-3,10-dienyl] hexanoate
|
474.60
|
4.9
|
1
|
6
|
89.9
|
9
|
|
|
5-[1-[(1aR,7S,7bR)-1,1,7-trimethyl-4-methylidene-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[h]azulen-7-yl]-3-methylbutyl]-2,4,6-trihydroxybenzene-1,3-dicarbaldehyde
|
454.60
|
7.2
|
3
|
5
|
94.83
|
6
|
|
|
1-[[4-hydroxy-3-[5-[(7-hydroxy-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]-2-methoxyphenoxy]phenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
|
626.70
|
6
|
3
|
9
|
104.09
|
9
|
|
|
(6aS,12aS,12bS)-11-methyl-2,5,6,6a,12a,12b-hexahydro-1H-chromeno[2,3-g]indolizine-3,12-dione
|
271.31
|
1.6
|
0
|
3
|
46.61
|
0
|
|
|
(1S,3R,5S,7S,9R,10S,12R,14R,15S,17R,18S,19R,22S,23R)-9,10,17,22-tetrahydroxy-7-(hydroxymethyl)-18-methyl-19-(5-oxo-2H-furan-3-yl)-4,6,11-trioxahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacosane-14-carbaldehyde
|
564.60
|
-1.3
|
5
|
11
|
172.21
|
3
|
|
|
(2R,3R,4S)-2-(3,4-dihydroxyphenyl)-4-[(2S,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-8-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
|
866.80
|
3.3
|
15
|
18
|
331.14
|
5
|
|
|
(1S,3R,5S,7R,9S,10S,12R,14R,15S,17R,18S,19R,20R,22S,23R)-9,10,17,20,22-pentahydroxy-7,18-dimethyl-19-(5-oxo-2H-furan-3-yl)-4,6,11-trioxahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacosane-14-carbaldehyde
|
564.60
|
-1.2
|
5
|
11
|
172.21
|
2
|
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