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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[(4R,4aS,7R,10aR,11bR)-7-acetyloxy-4,8,11b-trimethyl-9-oxo-2,3,4a,5,6,7,10a,11-octahydro-1H-naphtho[2,1-f][1]benzofuran-4-yl]methyl acetate
|
416.50
|
3
|
0
|
6
|
78.9
|
5
|
|
|
2,7-Dihydroxynaphthalene
|
160.17
|
2.3
|
2
|
2
|
40.46
|
0
|
|
|
(1R,2R,4aR,6S,8aS)-1-[(3E,7E,11E)-13-hydroxy-4,8,12-trimethyltrideca-3,7,11-trienyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalene-2,6-diol
|
460.70
|
7.3
|
3
|
3
|
60.69
|
10
|
|
|
luzonoid A
|
462.50
|
1.2
|
4
|
9
|
142.75
|
10
|
|
|
luzonoid B
|
462.50
|
1.2
|
4
|
9
|
142.75
|
10
|
|
|
(1S,4R,5R,6S)-5-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)-4-pentyl-6-(piperidine-1-carbonyl)cyclohex-2-ene-1-carboxamide
|
482.70
|
6.1
|
1
|
4
|
67.87
|
9
|
|
|
Dibothrioclinin I
|
484.50
|
5
|
0
|
6
|
78.88
|
0
|
|
|
tanariflavanone C
|
508.60
|
6.7
|
5
|
7
|
127.45
|
9
|
|
|
[(3S,4R,5S)-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-[4-(2-hydroxyethyl)phenoxy]-6-(hydroxymethyl)oxan-3-yl]oxy-3,4-dihydroxyoxolan-3-yl]methyl benzoate
|
536.50
|
-0.2
|
6
|
12
|
184.6
|
11
|
|
|
oboflavanone B
|
554.60
|
6.3
|
1
|
7
|
91.29
|
9
|
|
|
(-)-Epicatechin-(4alpha->8)-(-)-epicatechin
|
578.50
|
2.4
|
10
|
12
|
220.76
|
3
|
|
|
Murisolin
|
580.90
|
10.3
|
3
|
6
|
96.22
|
26
|
|
|
5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
|
594.50
|
-1.9
|
9
|
15
|
249.2
|
7
|
|
|
[(3S,6R,8S,11R,12S,15S,16R,19S,21R)-19-hydroxy-3,7,7,11,16,20,20-heptamethyl-8-pentacyclo[13.8.0.03,12.06,11.016,21]tricos-1(23)-enyl] 3-(3,4-dihydroxyphenyl)propanoate
|
606.90
|
9.3
|
3
|
5
|
86.99
|
5
|
|
|
Albibrissinoside B
|
614.50
|
-0.6
|
7
|
16
|
232.52
|
12
|
|
|
Epimeredinoside A
|
652.60
|
0.1
|
7
|
15
|
223.29
|
13
|
|
|
(2R,3R,4R,5R,6S)-2-[[(1R,3R,5S,8S,9S,10S,13S,14S,16S,17R)-3-hydroxy-17-[(2S,3S)-3-hydroxy-6-methylhept-5-en-2-yl]-10,13-dimethyl-1-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-16-yl]oxy]-6-methyloxane-3,4,5-triol
|
726.90
|
3.2
|
8
|
12
|
198.76
|
8
|
|
|
Toluene
|
92.14
|
2.7
|
0
|
0
|
0
|
0
|
|
|
(4S,5R,7R,8R,13R,16R,19R,22S)-7,22-dihydroxy-8-[(2S,4S,5R,6R)-4-methoxy-5-[(2S,4S,5R,6S)-4-methoxy-5-[(2S,4S,5R,6R)-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-5,19-dimethyl-15,18,20-trioxapentacyclo[14.5.1.04,13.05,10.019,22]docosa-1(21),10-dien-14-one
|
987.10
|
-0.4
|
6
|
21
|
267.67
|
12
|
|
|
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-10-benzoyloxy-8-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-9-(2-methylpropanoyloxy)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2-carboxylic acid
|
1135.30
|
4
|
11
|
22
|
347.58
|
15
|
|
|
2-C-methyl-D-erythritol
|
136.15
|
-2.2
|
4
|
4
|
80.92
|
3
|
|
|
(E)-3-methylsulfonylprop-2-en-1-ol
|
136.17
|
-0.9
|
1
|
3
|
62.75
|
2
|
|
|
Naphthalen-2(1H)-one
|
144.17
|
1.9
|
0
|
1
|
17.07
|
0
|
|
|
3-Deuterioquinoline-4-carboxylic acid
|
174.17
|
0.5
|
1
|
3
|
50.19
|
1
|
|
|
(4aR,6R,7R,7aR)-6-hydroxy-7-(hydroxymethyl)-4-methylidene-5,6,7,7a-tetrahydro-4aH-cyclopenta[c]pyran-1-one
|
198.22
|
-0.2
|
2
|
4
|
66.76
|
1
|
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