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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(3R,4aR,5S,8aR)-3-(2-hydroxypropan-2-yl)-5,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-ol
|
240.38
|
2.9
|
2
|
2
|
40.46
|
1
|
|
|
3-Eudesmene-1beta,11-diol
|
238.37
|
2.2
|
2
|
2
|
40.46
|
1
|
|
|
[(1R,4aS,6R,8aR)-6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-2,4a,5,6,7,8-hexahydro-1H-naphthalen-1-yl] acetate
|
280.40
|
2.7
|
1
|
3
|
46.53
|
3
|
|
|
[(1R,6R,8aR)-6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-2,3,5,6,7,8-hexahydro-1H-naphthalen-1-yl] acetate
|
280.40
|
2.4
|
1
|
3
|
46.53
|
3
|
|
|
[(1R,4aS,6R,8aR)-6-(2-hydroxypropan-2-yl)-8a-methyl-4-methylidene-1,2,3,4a,5,6,7,8-octahydronaphthalen-1-yl] acetate
|
280.40
|
2.8
|
1
|
3
|
46.53
|
3
|
|
|
(2S,3S)-2-(3,4-dihydroxyphenyl)-6-[(2S,3S,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
|
578.50
|
2.4
|
10
|
12
|
220.76
|
3
|
|
|
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[(4-hydroxy-3-methoxybenzoyl)oxymethyl]oxan-2-yl]oxyphenoxy]oxan-2-yl]methyl 4-hydroxy-3,5-dimethoxybenzoate
|
794.70
|
0.1
|
8
|
20
|
288.28
|
16
|
|
|
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[(4-hydroxy-3-methoxybenzoyl)oxymethyl]oxan-2-yl]oxyphenoxy]oxan-2-yl]methyl 4-hydroxy-3-methoxybenzoate
|
764.70
|
0.2
|
8
|
19
|
279.05
|
15
|
|
|
[(1R,2R,7S,8aR)-1,8a-dimethyl-6-oxo-7-prop-1-en-2-yl-1,2,3,4,7,8-hexahydronaphthalen-2-yl] 3-methylbut-2-enoate
|
316.40
|
4.8
|
0
|
3
|
43.37
|
4
|
|
|
cis-zeatin-7-N-glucoside
|
381.38
|
-1.6
|
6
|
10
|
166.01
|
6
|
|
|
dihydrozeatin-9-b-D-glucoside
|
383.40
|
-0.5
|
6
|
10
|
166.01
|
7
|
|
|
(6aS,12aS)-9,11-dimethoxy-6,6-dimethyl-8-(3-methylbut-2-enyl)-6a,7,12,12a-tetrahydronaphtho[2,3-c]chromen-3-ol
|
408.50
|
6.1
|
1
|
4
|
47.92
|
4
|
|
|
[(8R,9S,10R,13S,14S,16S,17Z)-17-ethylidene-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-16-yl] acetate
|
356.50
|
4.1
|
0
|
3
|
43.37
|
2
|
|
|
(2S,3R,4R,5S,6S)-2-[(2S,3R,4S,5S,6R)-2-(3,4-dimethoxyphenoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4-methoxy-6-methyloxane-3,5-diol
|
476.50
|
-0.9
|
5
|
12
|
165.76
|
8
|
|
|
2-(beta-d-Glucopyranosyloxy)-1-(4-hydroxyphenyl)ethanone
|
314.29
|
-1.1
|
5
|
8
|
136.68
|
5
|
|
|
(2S,3R,4R,5S,6S)-2-[4-[(2R,3R)-7-hydroxy-3-(hydroxymethyl)-5-(3-hydroxypropyl)-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenoxy]-4-methoxy-6-methyloxane-3,5-diol
|
506.50
|
1
|
5
|
10
|
147.3
|
9
|
|
|
(2S,3R,4S,5S,6R)-2-[[(2R,3S)-3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-chromen-7-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
466.40
|
-1.1
|
7
|
11
|
178.53
|
5
|
|
|
[(2R,3S,4S,5R,6S)-6-[(2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
|
950.80
|
-1.4
|
15
|
25
|
415.34
|
14
|
|
|
(2S,3R,4R,5R,6S)-2-[(2R,3S,4S,5R,6R)-4-hydroxy-2-(hydroxymethyl)-6-[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-1'-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-16-yl]oxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
884.10
|
1
|
9
|
17
|
249.92
|
7
|
|
|
(E)-N-[2-[4-[(2E)-3,7-dimethyl-5-oxoocta-2,6-dienoxy]-3-hydroxyphenyl]ethyl]-3-methylsulfonylprop-2-enamide
|
435.50
|
2.8
|
2
|
6
|
118.15
|
11
|
|
|
(2R,4aR,6aR,6aS,6bR,8aR,10S,12aR,14aR)-10-hydroxy-1,2,4a,6b,9,9,12a-heptamethyl-3,4,5,6,6a,7,8,8a,10,11,12,13,14,14a-tetradecahydro-2H-picene-6a-carboxylic acid
|
456.70
|
7.3
|
2
|
3
|
57.53
|
1
|
|
|
6-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-2-one
|
486.40
|
-2.3
|
7
|
13
|
208.74
|
5
|
|
|
24,25-Dihydroxycycloartan-3-one
|
458.70
|
7
|
2
|
3
|
57.53
|
5
|
|
|
[(2R,3S,4S,5R,6S)-6-[(2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
|
994.80
|
-1.1
|
14
|
26
|
413.57
|
16
|
|
|
(2S)-5-hydroxy-2-(2-hydroxy-4-methoxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one
|
316.30
|
2.7
|
2
|
6
|
85.22
|
3
|
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