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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Gentian Violet
|
408.00
|
|
0
|
3
|
9.49
|
4
|
|
|
(2R,3S)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-5-[(E)-3-hydroxyprop-1-enyl]-2,3-dihydro-1-benzofuran-7-ol
|
344.40
|
1.6
|
4
|
6
|
99.38
|
5
|
|
|
(3R,5R)-1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)heptane-3,5-diol
|
346.40
|
2.6
|
4
|
5
|
90.15
|
9
|
|
|
Phyllaemblic acid B
|
348.34
|
-2.4
|
6
|
9
|
156.91
|
3
|
|
|
(2R)-2-[(1'R,4S,4aR,5'R,7R,8aS)-8',8'-dimethyl-1,3'-dioxospiro[4a,5,6,7,8,8a-hexahydro-3H-isochromene-4,2'-6-oxabicyclo[3.2.1]octane]-7-yl]propanoic acid
|
364.40
|
2.1
|
1
|
6
|
89.9
|
2
|
|
|
Gossypifan
|
368.40
|
3.7
|
0
|
6
|
63.22
|
5
|
|
|
grayanotoxin III
|
370.50
|
0.3
|
6
|
6
|
121.38
|
0
|
|
|
5-Allohydroxymatairesinol
|
374.40
|
2.1
|
3
|
7
|
105.45
|
6
|
|
|
(1R,6'S,8'R)-6,7-dimethoxy-2-methylspiro[3,4-dihydroisoquinoline-1,7'-6,8-dihydrocyclopenta[g][1,3]benzodioxole]-6',8'-diol
|
385.40
|
1.2
|
2
|
7
|
80.62
|
2
|
|
|
Euglobal G4
|
386.50
|
5.3
|
2
|
5
|
83.83
|
4
|
|
|
4-methyl-2-[(1S,2R,3S,6R,11S)-3-methyl-11-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]-5-oxa-10-azatricyclo[8.3.0.02,6]tridecan-4-yl]-2H-furan-5-one
|
389.50
|
3.2
|
0
|
6
|
65.07
|
2
|
|
|
3-[(1S,4aR,5S,6S,8aR)-5-[(2,5-dihydroxy-3-methylphenyl)methyl]-5,6,8a-trimethyl-2-oxo-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]propanoic acid
|
402.50
|
4.7
|
3
|
5
|
94.83
|
5
|
|
|
Oxyresveratrol 2-O-beta-D-glucopyranoside
|
406.40
|
1
|
7
|
9
|
160.07
|
5
|
|
|
Olean-12-ene
|
410.70
|
10.7
|
0
|
0
|
0
|
0
|
|
|
Isosilybin A
|
482.40
|
2.4
|
5
|
10
|
155.14
|
4
|
|
|
Munronin C
|
512.50
|
2
|
0
|
9
|
117.73
|
4
|
|
|
Eriojaposide B
|
516.60
|
-1.6
|
6
|
11
|
175.37
|
7
|
|
|
[(3S,5R,8R,9R,10R,13R,14R,16S,17R)-17-[(E,2S)-2,6-dihydroxy-6-methylhept-4-en-2-yl]-16-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
|
518.80
|
6.9
|
3
|
5
|
86.99
|
6
|
|
|
[(1R,2S,4R,6S,8S,9R,10S,11S,13S,15R)-2,8,15-triacetyloxy-6-hydroxy-5,5,9-trimethyl-14-methylidene-11-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate
|
520.60
|
2.7
|
1
|
9
|
125.43
|
8
|
|
|
Ecdysterone 20,22-monoacetonide
|
520.70
|
2
|
4
|
7
|
116.45
|
4
|
|
|
[(1R,2R,3R,5S,8R,9R,10R)-2-acetyloxy-9,10-dihydroxy-8,12,15,15-tetramethyl-4-methylidene-13-oxo-5-tricyclo[9.3.1.03,8]pentadec-11-enyl] (E)-3-phenylprop-2-enoate
|
522.60
|
3.3
|
2
|
7
|
110.13
|
6
|
|
|
[(1R,2S,4R,6R,7S,10S,11R,13S,14S,15R,16R)-15-acetyloxy-7,11-dimethyl-6-[(1S)-1-(methylamino)ethyl]-14-[[(E)-2-methylbut-2-enoyl]amino]-5-oxapentacyclo[8.8.0.02,7.04,6.011,16]octadecan-13-yl] acetate
|
544.70
|
4.2
|
2
|
7
|
106.26
|
8
|
|
|
[(1R,4S,5S,8R,9R,10S,13S,14R,16R,17S,22R)-4,9,10,14,17,20,20-heptamethyl-23-oxo-24-oxahexacyclo[14.6.2.01,14.04,13.05,10.017,22]tetracosan-8-yl] benzoate
|
560.80
|
10.1
|
0
|
4
|
52.6
|
3
|
|
|
5-hydroxy-2-phenyl-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]chromen-4-one
|
562.50
|
-0.7
|
8
|
13
|
219.74
|
5
|
|
|
[(1S,2R,4S,5R,6S,7S,9R,12R)-12-acetyloxy-6-(acetyloxymethyl)-7-benzoyloxy-5-hydroxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-4-yl] benzoate
|
594.60
|
4.2
|
1
|
10
|
134.66
|
11
|
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