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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(1R,4S,8R,9R,10S,12R)-9-[2-(furan-3-yl)-2-oxoethyl]-9,10,12-trimethyl-2-oxatricyclo[6.3.1.04,12]dodecan-3-one
|
330.40
|
4
|
0
|
4
|
56.51
|
3
|
|
|
(1S,4R,8S,9R,11S,12S,14R)-11-(furan-3-yl)-11-hydroxy-9,12,14-trimethyl-2-oxatetracyclo[6.5.1.04,14.09,12]tetradecane-3,10-dione
|
344.40
|
2.7
|
1
|
5
|
76.74
|
1
|
|
|
(5R,6S)-2,2,6,9-tetramethyl-3,4,5,6-tetrahydro-1-benzoxocine-5,8-diol
|
250.33
|
3
|
2
|
3
|
49.69
|
0
|
|
|
(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
|
450.40
|
0.2
|
7
|
11
|
186.37
|
4
|
|
|
7-[4-[(2S,3R,4S,5S,6R)-3-(4-acetyl-2-methoxyphenoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-9-methoxy-[1,3]dioxolo[4,5-g]chromen-8-one
|
800.70
|
0.7
|
7
|
19
|
271.96
|
12
|
|
|
(2S,3R,4S,5S,6R)-2-[2-[(2R,4aR,5S,8R,8aR)-5,8-dihydroxy-4a,8-dimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]propan-2-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
418.50
|
0
|
6
|
8
|
139.84
|
4
|
|
|
(2S,3R,4S,5S,6R)-2-[2-[(2R,4aR,5R,6S,8aS)-5,6-dihydroxy-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]propan-2-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
416.50
|
-0.4
|
6
|
8
|
139.84
|
4
|
|
|
(2S,3R,4S,5S,6R)-2-[2-[(2R,4aR,5S,8aS)-5-hydroxy-4a-(hydroxymethyl)-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]propan-2-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
416.50
|
-0.1
|
6
|
8
|
139.84
|
5
|
|
|
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[2-[(1R,4R,6R,7S,10S)-10-hydroxy-7-methyl-12-oxatricyclo[5.3.2.01,6]dodecan-4-yl]propan-2-yloxy]oxane-3,4,5-triol
|
416.50
|
-0.2
|
5
|
8
|
128.84
|
4
|
|
|
(1S,4R,6R,7S,10S)-10-hydroxy-7-methyl-4-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-12-oxatricyclo[5.3.2.01,6]dodecan-11-one
|
430.50
|
-0.5
|
5
|
9
|
145.91
|
4
|
|
|
(3S,4aS,8aS)-5,8a-dimethyl-3-prop-1-en-2-yl-2,3,4,4a,7,8-hexahydro-1H-naphthalene
|
204.35
|
5.2
|
0
|
0
|
0
|
1
|
|
|
[(1R,4R,5R,7S,8R,9R,10R,11S,12R)-5,7-diacetyloxy-10-[(3R,5R)-3-(furan-3-yl)-5-methoxy-2-methylcyclopenten-1-yl]-9-(2-methoxy-2-oxoethyl)-4,8,10-trimethyl-2-oxatricyclo[6.3.1.04,12]dodecan-11-yl] (E)-2-methylbut-2-enoate
|
670.80
|
4.1
|
0
|
11
|
136.8
|
13
|
|
|
[(1R,4R,5R,7S,8R,9R,10R,11S,12R)-5,7-diacetyloxy-10-[(3R,5S)-3-(furan-3-yl)-5-methoxy-2-methylcyclopenten-1-yl]-9-(2-methoxy-2-oxoethyl)-4,8,10-trimethyl-2-oxatricyclo[6.3.1.04,12]dodecan-11-yl] benzoate
|
692.80
|
4.5
|
0
|
11
|
136.8
|
13
|
|
|
[(1R,4R,5R,7S,8R,9R,10R,11S,12R)-5,7-diacetyloxy-10-[(3R,5S)-3-(furan-3-yl)-5-methoxy-2-methylcyclopenten-1-yl]-9-(2-methoxy-2-oxoethyl)-4,8,10-trimethyl-2-oxatricyclo[6.3.1.04,12]dodecan-11-yl] (E)-2-methylbut-2-enoate
|
670.80
|
4.1
|
0
|
11
|
136.8
|
13
|
|
|
[(E,2S,3R,5S)-5-acetyloxy-3-hydroxy-7-[(2S,3S)-3-hydroxy-6-oxo-2,3-dihydropyran-2-yl]hept-6-en-2-yl] acetate
|
342.34
|
-0.1
|
2
|
8
|
119.36
|
9
|
|
|
[(2S,3S,4R)-4-methoxy-6-oxo-2-[(E,3S,5R,6S)-3,5,6-triacetyloxyhept-1-enyl]oxan-3-yl] acetate
|
458.50
|
0.6
|
0
|
11
|
140.73
|
14
|
|
|
(1R,4S,5R,8S,9S,10R)-9-[(2R,3R)-3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]-4,8-dihydroxy-10-(4-hydroxyphenyl)-2,6,11-trioxatricyclo[6.3.0.01,5]undecan-7-one
|
628.60
|
2.3
|
7
|
12
|
195.6
|
4
|
|
|
[3-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl 3-hydroxy-4-methoxybenzoate
|
452.40
|
-0.4
|
6
|
11
|
175.37
|
8
|
|
|
methyl 2-[(1S,3R,4R,5R,7S,8R,10R,11S,12S,13S,16S)-4,5,16-triacetyloxy-13-(furan-3-yl)-11-hydroxy-6,6,8,12-tetramethyl-17-methylidene-9,15-dioxo-2,14-dioxatetracyclo[8.6.1.01,12.03,8]heptadecan-7-yl]acetate
|
660.70
|
1.1
|
1
|
14
|
191.17
|
10
|
|
|
[(1S,3R,4R,5R,7S,8R,10R,11S,12S,13S,16S)-5,16-diacetyloxy-13-(furan-3-yl)-11-hydroxy-7-(2-methoxy-2-oxoethyl)-6,6,8,12-tetramethyl-17-methylidene-9,15-dioxo-2,14-dioxatetracyclo[8.6.1.01,12.03,8]heptadecan-4-yl] 2-methylbutanoate
|
702.70
|
2.5
|
1
|
14
|
191.17
|
12
|
|
|
[(1S,3R,4R,5R,7S,8R,10R,11S,12S,13S,16S)-5,16-diacetyloxy-13-(furan-3-yl)-11-hydroxy-7-(2-methoxy-2-oxoethyl)-6,6,8,12-tetramethyl-17-methylidene-9,15-dioxo-2,14-dioxatetracyclo[8.6.1.01,12.03,8]heptadecan-4-yl] 2-methylpropanoate
|
688.70
|
2.1
|
1
|
14
|
191.17
|
11
|
|
|
(2S,3R,4S,5S,6R)-2-[4-[5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-2-yl]-2-hydroxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
611.50
|
|
11
|
15
|
270.75
|
7
|
|
|
3-[[6-O-(2-Carboxyacetyl)-3-O-I(2)-D-glucopyranosyl-I(2)-D-glucopyranosyl]oxy]-2-[4-(I(2)-D-glucopyranosyloxy)-3-hydroxyphenyl]-5,7-dihydroxy-1-benzopyrylium
|
859.70
|
|
14
|
23
|
393.27
|
14
|
|
|
Peonidin 3-(6''-malonyl-glucoside) 5-glucoside
|
711.60
|
|
10
|
18
|
303.12
|
12
|
|
|
3-[(2S,3R,4S,5R,6R)-6-[[(2R,3R,4R,5R,6S)-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
|
726.60
|
-2.2
|
11
|
19
|
308.12
|
9
|
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