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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
broussonin E
|
288.34
|
3.9
|
2
|
4
|
58.92
|
6
|
|
|
Okanin 3'-glucoside
|
450.40
|
0.7
|
8
|
11
|
197.37
|
6
|
|
|
(E)-3-(3,4-dihydroxyphenyl)-1-[2,4-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-en-1-one
|
450.40
|
0.7
|
8
|
11
|
197.37
|
6
|
|
|
(E)-3-(3,4-dihydroxyphenyl)-1-[2,3-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyphenyl]prop-2-en-1-one
|
612.50
|
-1.5
|
11
|
16
|
276.52
|
9
|
|
|
[(2R,3S,4S,5R,6S)-6-[4-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-2,3-dihydroxyphenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate
|
492.40
|
0.7
|
7
|
12
|
203.44
|
8
|
|
|
[3-acetyloxy-5-[(Z)-pentadec-8-enyl]phenyl] acetate
|
402.60
|
8.3
|
0
|
4
|
52.6
|
17
|
|
|
Triacontyl p-coumarate
|
585.00
|
17.2
|
1
|
3
|
46.53
|
32
|
|
|
Abrusin 2''-O-beta-apiofuranoside
|
608.50
|
-0.7
|
8
|
15
|
238.2
|
8
|
|
|
6-exo-Vinyl-5-endo-norbornenol
|
136.19
|
1.3
|
1
|
1
|
20.23
|
1
|
|
|
[(Z)-3-(acetyloxymethyl)-4-(1,3-benzodioxol-5-yl)-2-[(3,4-dimethoxyphenyl)methyl]but-3-enyl] acetate
|
456.50
|
4.2
|
0
|
8
|
89.52
|
12
|
|
|
6-Formylumbelliferone
|
190.15
|
1.6
|
1
|
4
|
67.51
|
1
|
|
|
7-Methoxy-8-(3-oxobutyl)chromen-2-one
|
246.26
|
1.8
|
0
|
4
|
56.51
|
4
|
|
|
(9R,10R)-9,10-dihydroxy-5-methoxy-8,8-dimethyl-9,10-dihydropyrano[2,3-f]chromen-2-one
|
292.28
|
0.8
|
2
|
6
|
89.13
|
1
|
|
|
trans-Grandmarin isovalerate
|
376.40
|
2.6
|
1
|
7
|
95.2
|
5
|
|
|
Kinocoumarin
|
380.50
|
5.9
|
1
|
4
|
59.67
|
4
|
|
|
Gomisin S
|
418.50
|
3.8
|
2
|
7
|
86.61
|
5
|
|
|
1-(2,3,16-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethyl 2-methylprop-2-enoate
|
420.60
|
4.6
|
3
|
5
|
86.99
|
4
|
|
|
5Z,9Z,19E-hexacosatrienoic acid
|
390.60
|
9.7
|
1
|
2
|
37.3
|
21
|
|
|
3-(3-Carboxy-6,7-dihydroxynaphthalen-1-yl)-2-oxo-2H-pyran-6-carboxylic acid
|
342.26
|
2.2
|
4
|
8
|
145.27
|
3
|
|
|
(22R)-14,20,22-Trihydroxy-1-oxoergosta-2,5,24-triene-18,26-dioic acid 18,20
|
466.60
|
3
|
1
|
6
|
89.9
|
1
|
|
|
Withaphysalin A
|
466.60
|
3
|
1
|
6
|
89.9
|
1
|
|
|
[(5R,6R,8R,9S,10R,13R,14R,15S)-17-[(1S)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-5,6,14-trihydroxy-10,13-dimethyl-1-oxo-4,6,7,8,9,11,12,15-octahydrocyclopenta[a]phenanthren-15-yl] acetate
|
528.60
|
1.9
|
3
|
8
|
130.36
|
4
|
|
|
Kusunokinol
|
388.50
|
3.6
|
1
|
6
|
66.38
|
8
|
|
|
(2S,3R,4R)-3,4-bis[(3,4-dimethoxyphenyl)methyl]oxolan-2-ol
|
388.50
|
3.6
|
1
|
6
|
66.38
|
8
|
|
|
14-Hydroxygelsenicine
|
342.40
|
0.3
|
1
|
5
|
71.36
|
2
|
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