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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Meridinol
|
370.40
|
2.9
|
1
|
7
|
83.45
|
4
|
|
|
(2E,11E)-12-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)dodeca-2,11-dienamide
|
371.50
|
7.1
|
1
|
3
|
47.56
|
12
|
|
|
DHMBOA hexose
|
387.34
|
-1.1
|
4
|
10
|
147.38
|
5
|
|
|
5-Hydroxyauranetin
|
388.40
|
3.4
|
1
|
8
|
96.59
|
6
|
|
|
[(Benzyltrisulfanyl)methyltrisulfanyl]methylbenzene
|
388.70
|
5.6
|
0
|
6
|
151.8
|
10
|
|
|
Adoxoside
|
390.40
|
-1.4
|
5
|
10
|
155.14
|
6
|
|
|
(3aR,3bS,5aR,6R,8aS,8bS,10aR)-10a-hydroxy-3a,5a-dimethyl-6-[(2R)-6-methylheptan-2-yl]-3b,4,5,6,7,8,8a,8b,9,10-decahydro-3H-indeno[5,4-e][1]benzofuran-2-one
|
390.60
|
7.4
|
1
|
3
|
46.53
|
5
|
|
|
(4aR,6R,8aS)-4,8a-dimethyl-6-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-1,4a,5,6,7,8-hexahydronaphthalen-2-one
|
398.50
|
0.5
|
4
|
7
|
116.45
|
4
|
|
|
Bornyl valerate
|
238.37
|
4.7
|
0
|
2
|
26.3
|
5
|
|
|
ethyl N-[2-[6-([1,3]dioxolo[4,5-h]isoquinolin-7-yl)-1,3-benzodioxol-5-yl]ethyl]-N-methylcarbamate
|
422.40
|
3.9
|
0
|
7
|
79.35
|
6
|
|
|
Haperforin G
|
424.50
|
2.1
|
1
|
6
|
85.97
|
1
|
|
|
Allobetulin
|
442.70
|
8.1
|
1
|
2
|
29.46
|
0
|
|
|
(9R,10S)-rel-(-)-9,10-bis(Acetyloxy)-9,10-dihydro-5-methoxy-8,8-dimethyl-2-phenyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one
|
452.50
|
3.2
|
0
|
8
|
101.27
|
6
|
|
|
[(2S,3R,4S,5R,6R)-2-[(3S,6R)-6,7-dihydroxy-3,7-dimethyloct-1-en-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] hydrogen sulfate
|
430.50
|
-1.5
|
6
|
11
|
191.59
|
10
|
|
|
Munronin F
|
474.50
|
1.5
|
1
|
9
|
128.73
|
4
|
|
|
Taxinine A
|
476.60
|
1.8
|
1
|
8
|
116.2
|
6
|
|
|
(2S,3R,4S,5S,6R)-2-[[(2R,3R)-3,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6-methyl-3,4-dihydro-2H-chromen-5-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
480.50
|
0.3
|
7
|
11
|
178.53
|
5
|
|
|
(2S,3R,5R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
|
480.60
|
0.5
|
6
|
7
|
138.45
|
5
|
|
|
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-(5-hydroxy-7-methoxy-4-oxochromen-2-yl)phenoxy]oxan-2-yl]methyl acetate
|
488.40
|
1.2
|
4
|
11
|
165.12
|
7
|
|
|
adenanthin J
|
492.60
|
1.3
|
2
|
9
|
136.43
|
6
|
|
|
adenanthin K
|
492.60
|
1.3
|
2
|
9
|
136.43
|
6
|
|
|
Lappadilactone
|
494.60
|
3.8
|
1
|
6
|
89.9
|
2
|
|
|
N-Benzoylbuxahyrcanine
|
506.80
|
6.5
|
2
|
3
|
52.57
|
4
|
|
|
9-[3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(2-methyl-4-oxopyran-3-yl)oxyoxan-3-yl]oxy-2-hydroxy-3-methylbutoxy]furo[3,2-g]chromen-7-one
|
574.50
|
1.1
|
4
|
13
|
191.4
|
9
|
|
|
muricin G
|
594.90
|
7.7
|
4
|
7
|
116.45
|
25
|
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