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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Formoxanthone B
|
446.50
|
7.5
|
2
|
5
|
79.9
|
5
|
|
|
(2R,3R,4S,4aR,6aR,6bS,14aR,14bR)-2,3-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-1,2,3,4a,5,6,7,8,14,14a-decahydropicene-4-carboxylic acid
|
452.60
|
6.2
|
3
|
4
|
77.76
|
1
|
|
|
3-Methoxybenzaldehyde
|
136.15
|
1.8
|
0
|
2
|
26.3
|
2
|
|
|
Marianine
|
470.70
|
7.1
|
2
|
3
|
57.53
|
5
|
|
|
2,3-Dimethoxy-5-methyl-6-(3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl)cyclohexa-2,5-diene-1,4-dione
|
727.10
|
15.7
|
0
|
4
|
52.6
|
25
|
|
|
Chaetoglobosin U
|
528.60
|
3.6
|
3
|
5
|
111.79
|
2
|
|
|
Genameside D
|
550.50
|
-3.9
|
8
|
15
|
234.29
|
9
|
|
|
Oblongifolin B
|
602.80
|
10.3
|
3
|
6
|
111.9
|
10
|
|
|
[(1S,2R,3R,5R,7R,10S,11R,14R,15S)-15-[(2R,3S,5R)-5-[(1S)-1,2-dihydroxy-2-methylpropyl]-2-methoxyoxolan-3-yl]-3-hydroxy-2,6,6,10-tetramethyl-7-pentacyclo[12.3.1.01,14.02,11.05,10]octadecanyl] 3-methylbut-2-enoate
|
602.80
|
6.8
|
3
|
7
|
105.45
|
7
|
|
|
[(1S,2R,4aR,6aS,6aS,8aS,10R,12aS,13R,14aS,14bR)-10-hydroxy-1,2,4a,6a,9,9,12a,14a-octamethyl-12-oxo-1,2,3,4,5,6,6a,8,8a,10,11,13,14,14b-tetradecahydropicen-13-yl] 4-hydroxy-3-methoxybenzoate
|
606.80
|
8.2
|
2
|
6
|
93.06
|
4
|
|
|
3-[4-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-3-methoxyphenyl]-5-hydroxy-7-methoxychromen-4-one
|
608.50
|
-0.6
|
7
|
15
|
227.2
|
9
|
|
|
(E)-1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)hept-4-en-3-one
|
312.40
|
3.4
|
3
|
4
|
77.76
|
7
|
|
|
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-2-[(1R,2S,3'S,4S,5'S,6R,7S,8R,9S,12S,13R,16S,18S,19S)-3',16-dihydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-19-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl]oxy-6-methyloxane-3,4,5-triol
|
740.90
|
2
|
7
|
13
|
196.99
|
4
|
|
|
Gymnoside III
|
930.90
|
-2.1
|
11
|
23
|
356.81
|
22
|
|
|
(2S,3R,4S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-2,3-dihydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid
|
943.10
|
1.3
|
11
|
19
|
312.05
|
9
|
|
|
(2R,4aS)-4a,8-dimethyl-2-prop-1-en-2-yl-2,3,4,5-tetrahydro-1H-naphthalene
|
202.33
|
4.6
|
0
|
0
|
0
|
1
|
|
|
6,8-Dihydroxy-2,7-dimethylchromen-4-one
|
206.19
|
1.6
|
2
|
4
|
70.67
|
0
|
|
|
4-Methylcyclohexene
|
96.17
|
2.7
|
0
|
0
|
0
|
0
|
|
|
lappaceolide B
|
228.20
|
-1.6
|
1
|
6
|
82.06
|
1
|
|
|
3-(3-(3-Hydroxypiperidin-2-yl)-2-oxopropyl)quinazolin-4(3H)-one
|
301.34
|
0.1
|
2
|
5
|
84.22
|
4
|
|
|
10-Angeloylbutylphthalide
|
288.34
|
3.2
|
0
|
4
|
52.6
|
6
|
|
|
8-[(3,3-Dimethyloxiran-2-yl)methyl]-5-hydroxy-7-methoxy-2-methylchromen-4-one
|
290.31
|
2.7
|
1
|
5
|
72.2
|
3
|
|
|
(1R,10R,11R,15R)-4-hydroxy-6-methoxy-15-methyl-9,14,16-trioxatetracyclo[8.6.0.03,8.011,15]hexadeca-3,5,7-trien-13-one
|
292.28
|
1.5
|
1
|
6
|
74.22
|
1
|
|
|
(4S,4aS,4bS,5R,7R,9R,10aS)-7-ethenyl-1,1,4a,7-tetramethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-4,5,9-triol
|
320.50
|
2.9
|
3
|
3
|
60.69
|
1
|
|
|
(2R)-5-hydroxy-11-methyl-2-[(2R)-2-methyloxiran-2-yl]-1,2-dihydrofuro[2,3-c]acridin-6-one
|
323.30
|
3.3
|
1
|
5
|
63.99
|
1
|
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