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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
3-Oxotirucalla-7,24-dien-21-oic acid
|
454.70
|
7.4
|
1
|
3
|
54.37
|
5
|
|
|
7beta-Hydroxy-8-epiiridodial glucoside
|
346.37
|
0
|
5
|
8
|
128.84
|
3
|
|
|
gomisin N
|
400.50
|
5.1
|
0
|
6
|
55.38
|
4
|
|
|
Zwiebelane A
|
162.30
|
1.3
|
0
|
3
|
61.58
|
0
|
|
|
N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-2-[[(1R,2R,4S,5R,8R,10S,13R,14R,18S,21S)-2-hydroxy-4,5,9,9,13,20,20-heptamethyl-23-oxo-22-oxahexacyclo[19.2.1.01,18.04,17.05,14.08,13]tetracos-16-en-10-yl]oxy]-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-3-yl]acetamide
|
806.00
|
2.1
|
7
|
13
|
213.7
|
6
|
|
|
3-O-[alpha-L-arabinopyranosyl(1->2)-alpha-L-arabinopyranosyl(1->6)]-2-acetamido-2-deoxy-beta-D-glucopyranosyl acacic acid lactone
|
938.10
|
0.6
|
9
|
17
|
272.62
|
8
|
|
|
(3R,5R,8R,9R,10S,11R,13R,14R,17S)-3,11-dihydroxy-17-[(2R)-2-hydroxy-6-methyl-4-oxohept-5-en-2-yl]-4,4,8,10,14-pentamethyl-1,3,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-2-one
|
488.70
|
5
|
3
|
5
|
94.83
|
4
|
|
|
2-[(1R,2R)-1,2-dihydroxypropyl]-7-methoxy-5-methyl-8-[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
|
426.40
|
-1.7
|
6
|
10
|
170.05
|
5
|
|
|
galloyl(-2)[galloyl(-3)][galloyl(-6)]a-Glc1Me
|
650.50
|
0.9
|
10
|
18
|
299.66
|
11
|
|
|
[(2R,3R,4R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4-[(2R,3S)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
|
762.60
|
2.8
|
14
|
18
|
327.98
|
6
|
|
|
Ajugasteron B
|
506.70
|
1.5
|
6
|
7
|
138.45
|
7
|
|
|
(2S)-2-[4-[(2S,3R,4S,5S,6S)-3-[(2S,3S,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-7-hydroxy-2,3-dihydrochromen-4-one
|
550.50
|
-0.8
|
7
|
13
|
204.83
|
7
|
|
|
8-Epiloganic acid
|
376.36
|
-1.7
|
6
|
10
|
166.14
|
4
|
|
|
(2S)-2-phenyl-9-[(E)-3-phenylprop-2-enoyl]-1,5,9-triaza-14-azoniabicyclo[12.3.1]octadec-14(18)-en-4-one
|
473.60
|
2.8
|
1
|
2
|
55.66
|
3
|
|
|
(1R,2S)-1,2,9-trihydroxy-3,3-dimethyl-2,11-dihydro-1H-pyrano[3,2-a]carbazole-5-carbaldehyde
|
327.30
|
1.4
|
4
|
5
|
102.78
|
1
|
|
|
8-hydroxy-2-(2-hydroxypropan-2-yl)-2,10-dihydro-1H-furo[3,2-a]carbazole-4-carbaldehyde
|
311.30
|
2.5
|
3
|
4
|
82.55
|
2
|
|
|
Undecanedioic acid
|
216.27
|
2.7
|
2
|
4
|
74.6
|
10
|
|
|
CID 15816477
|
526.70
|
4.9
|
2
|
7
|
98.52
|
2
|
|
|
(3aR,4S,8S,9aS,9bR)-Decahydro-4,8-dihydroxy-3,6-dimethyl-9-methyleneazuleno[4,5-b]furan-2(3H)-one
|
266.33
|
1.1
|
2
|
4
|
66.76
|
0
|
|
|
9-[[(2S,4S)-9'-[(2R)-2,3-dihydroxy-3-methylbutoxy]-5,5-dimethylspiro[1,3-dioxolane-2,7'-furo[3,2-g]chromene]-4-yl]methoxy]furo[3,2-g]chromen-7-one
|
590.60
|
4.2
|
2
|
11
|
143.1
|
7
|
|
|
12-O-Methylinophyllum D
|
418.50
|
4.7
|
0
|
5
|
57.9
|
2
|
|
|
7-O-(p-Hydroxy)benzoyltecomoside
|
496.50
|
-0.4
|
6
|
12
|
192.44
|
7
|
|
|
2-[(1S,2S,4aR,8aS)-1-hydroxy-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]prop-2-enal
|
234.33
|
2.7
|
1
|
2
|
37.3
|
2
|
|
|
3,6,7-Trihydroxy-2-(4-hydroxy-3-methoxy-phenyl)chromone
|
316.26
|
1.9
|
4
|
7
|
120.36
|
2
|
|
|
5alpha-Androstane-3alpha,17beta-diol
|
292.50
|
4.2
|
2
|
2
|
40.46
|
0
|
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