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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(7S,9S,10aR)-1,3,7-trihydroxy-10a-methyl-9-(2-methylpropyl)-7-propan-2-yl-8a,9-dihydro-8H-xanthene-2,4-dicarbaldehyde
|
402.50
|
4.5
|
3
|
6
|
104.06
|
5
|
|
|
5-[(1S)-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
|
|
|
(1S,4S,6S,9R,10S,12S,13R)-6,13-dihydroxy-5,5,9-trimethyl-16-methylene-tetracyclo[10.2.2.01,10.04,9]hexadecan-14-one
|
318.40
|
2.8
|
2
|
3
|
57.53
|
0
|
|
|
[(1R,3S,5R,6aS,7R,8R,10S,10aS)-1-acetyloxy-10-hydroxy-3-methoxy-7,8-dimethyl-7-[(2E)-3-methylpenta-2,4-dienyl]-1,3,5,6,6a,8,9,10-octahydrobenzo[d][2]benzofuran-5-yl] 2-methylpropanoate
|
476.60
|
4.6
|
1
|
7
|
91.29
|
9
|
|
|
(1S,9S,10S,11R)-7-benzoyl-11-(3-hydroxy-3-methylbutyl)-10-(4-hydroxy-4-methylpentyl)-4,4,10-trimethyl-5-oxatricyclo[7.3.1.01,6]tridec-6-ene-8,13-dione
|
538.70
|
5.3
|
2
|
6
|
100.9
|
9
|
|
|
(7aS)-7a-hydroxy-2-(2-phenylethyl)-3-sulfanylidene-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-one
|
276.36
|
1.6
|
1
|
3
|
75.87
|
3
|
|
|
(1S,13S,16S,18S)-12-[2-(1H-indol-3-yl)ethyl]-18-methoxy-15-methyl-5,7-dioxa-12,15-diazapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,19-tetraen-14-one
|
471.50
|
3.5
|
1
|
5
|
67.03
|
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] (E)-3-phenylprop-2-enoate
|
506.60
|
5.1
|
1
|
6
|
89.9
|
7
|
|
|
(1S,2S,4S,9R,12R)-12-hydroxy-4-methoxy-8,14-dioxa-7-azatetracyclo[7.4.3.01,9.02,7]hexadec-10-en-15-one
|
281.30
|
-0.2
|
1
|
6
|
68.23
|
1
|
|
|
(3R,6aR,12aS,12bS)-3-[2-(2-hydroxy-6-methylphenyl)-2-oxoethyl]-11-methyl-1,2,3,5,6,6a,12a,12b-octahydrochromeno[2,3-g]indolizin-12-one
|
405.50
|
4.5
|
1
|
5
|
66.84
|
3
|
|
|
[(1S,2S,3R,4R,7S,8R,10S,12R,14S,15S,17R,19S,20R)-4-acetyloxy-15-(furan-3-yl)-3,20-dihydroxy-2,7,14,20-tetramethyl-5-oxo-6,11,18-trioxahexacyclo[10.8.0.02,10.03,7.014,19.017,19]icosan-8-yl] acetate
|
560.60
|
0.9
|
2
|
11
|
154.26
|
5
|
|
|
(1R,2R,3S,11R,12R,14R,15R,18S)-2,7,9-trihydroxy-3,15-dimethyl-11-phenyl-18-propan-2-yl-4,19-dioxapentacyclo[12.4.1.01,14.03,12.05,10]nonadeca-5,7,9-triene-6,8-dicarbaldehyde
|
506.60
|
5
|
3
|
7
|
116.59
|
4
|
|
|
(1S,4R,6R,7S,8S,11S,12S,13S)-6,8,17-trihydroxy-8,16-dimethyl-14,19-dioxahexacyclo[11.2.2.14,7.19,12.01,11.04,10]nonadec-9-en-15-one
|
348.40
|
-1.3
|
3
|
6
|
96.22
|
0
|
|
|
3-[[(1aR,3aR,4R,7R,7bR)-7-hydroxy-1,1,3a,7-tetramethyl-1a,2,3,4,5,6,7a,7b-octahydrocyclopropa[a]naphthalen-4-yl]methyl]-2,4,6-trihydroxy-5-(3-methylbutanoyl)benzaldehyde
|
472.60
|
6.2
|
4
|
6
|
115.06
|
6
|
|
|
(1S,2S,3R,4R,7S,8S,10S,12S,13R,14R,15S,17R,19S,20R)-15-(furan-3-yl)-3,4,8,13,20-pentahydroxy-2,7,14,20-tetramethyl-6,11,18-trioxahexacyclo[10.8.0.02,10.03,7.014,19.017,19]icosan-5-one
|
492.50
|
-1.2
|
5
|
10
|
162.35
|
1
|
|
|
(E)-1-[6-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,7-dihydroxy-2,2-dimethylchromen-8-yl]-3-phenylprop-2-en-1-one
|
458.60
|
8.2
|
2
|
4
|
66.76
|
8
|
|
|
[(1S,3S,5S,6aS,7R,8R,10S,10aS)-1-acetyloxy-10-hydroxy-3-methoxy-7,8-dimethyl-7-[(2E)-3-methylpenta-2,4-dienyl]-1,3,5,6,6a,8,9,10-octahydrobenzo[d][2]benzofuran-5-yl] acetate
|
448.50
|
3.6
|
1
|
7
|
91.29
|
8
|
|
|
[(1S,4S,5R,9S,10S,12R)-5,9-dimethyl-13-methylidene-6,15-dioxo-5-tetracyclo[10.2.2.01,10.04,9]hexadecanyl]methyl acetate
|
358.50
|
2.6
|
0
|
4
|
60.44
|
3
|
|
|
(1R,2R,4aS,4bR,6S,7S,10aS)-7-ethenyl-1,4a,7-trimethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1,2,6-triol
|
306.40
|
2.3
|
3
|
3
|
60.69
|
1
|
|
|
(3S,4S,4aS)-3-methyl-8-oxo-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-4-carboxylic acid
|
212.20
|
0.3
|
1
|
5
|
72.83
|
1
|
|
|
[(1R,2S,4S,8S,10R,12S,13S,16S)-16-acetyloxy-13-ethenyl-8,12-dihydroxy-5,5,13-trimethyl-3-oxo-15-oxatetracyclo[7.5.2.01,10.04,9]hexadecan-2-yl] acetate
|
450.50
|
2
|
2
|
8
|
119.36
|
5
|
|
|
[(2S,3R,4R,5R,6S)-5-[[(3aR,4S,6S,7S,7aR)-7-hydroxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]-2-[[(1R,3S,5S,6S,7R,8R,20R,22R,24R,25S,29S)-7-[[(3aR,4S,6S,7S,7aR)-2,2,6-trimethyl-7-[(2S)-2-methylbutanoyl]oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]-5,24,27,27-tetramethyl-10-oxo-20-pentyl-2,4,9,21,23,26,28-heptaoxatetracyclo[20.7.0.03,8.025,29]nonacosan-6-yl]oxy]-4-hydroxy-6-methyloxan-3-yl] dodecanoate
|
1371.70
|
12.9
|
2
|
24
|
267.04
|
26
|
|
|
(2R)-2-[(2R)-2-[(1S,3R,6S,8R,11S,12S,15R,16R)-6-hydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]propyl]-4-methyl-2H-furan-5-one
|
454.70
|
8
|
1
|
3
|
46.53
|
3
|
|
|
3-[[(1R,4S,6S,8aR)-6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-yl]methyl]-2,4,6-trihydroxy-5-(3-methylbutanoyl)benzaldehyde
|
472.60
|
6
|
4
|
6
|
115.06
|
7
|
|
|
(1S,2S,4S,9R)-4-hydroxy-8,15-dioxa-7-azatetracyclo[7.6.1.01,12.02,7]hexadeca-10,12-dien-14-one
|
249.26
|
0.2
|
1
|
5
|
59
|
0
|
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