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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Cupreidine
|
310.40
|
2.6
|
2
|
4
|
56.59
|
3
|
|
|
methyl (4R,4aR,6aR,11aS,11bR)-4,11b-dimethyl-7-oxo-2,3,4a,5,6,6a,11,11a-octahydro-1H-naphtho[2,1-f][1]benzofuran-4-carboxylate
|
330.40
|
4.1
|
0
|
4
|
56.51
|
2
|
|
|
(1R,3R,4R,10S,11S,13S)-1-hydroxy-13-methyl-3,10-bis(prop-1-en-2-yl)-5,14-dioxatricyclo[9.2.1.14,7]pentadec-7(15)-ene-2,6,12-trione
|
360.40
|
2.7
|
1
|
6
|
89.9
|
2
|
|
|
8-Methoxy-3-(4-methoxyphenyl)-7-(3-methylbut-2-enoxy)chromen-4-one
|
366.40
|
4.6
|
0
|
5
|
57.9
|
6
|
|
|
4-hydroxy-2-(2-hydroxypropan-2-yl)-9-[(1S)-1-hydroxypropyl]-5-(2-methylbutanoyl)-2,3-dihydrofuro[2,3-f]chromen-7-one
|
404.50
|
2.8
|
3
|
7
|
117.2
|
6
|
|
|
1,6,7-Trihydroxy-3-methoxy-2,8-bis(3-methylbut-2-enyl)xanthen-9-one
|
410.50
|
6.3
|
3
|
6
|
100.13
|
5
|
|
|
CID 11589829
|
420.50
|
0.5
|
2
|
8
|
118.73
|
4
|
|
|
(2S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[(E)-7-hydroxy-3,7-dimethyloct-2-enyl]-2,3-dihydrochromen-4-one
|
442.50
|
4.5
|
5
|
7
|
127.45
|
7
|
|
|
(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-9-hydroxy-1-(3-hydroxyprop-1-en-2-yl)-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid
|
472.70
|
7
|
3
|
4
|
77.76
|
3
|
|
|
20I(2)-Hydroxyursolic acid
|
472.70
|
5.9
|
3
|
4
|
77.76
|
1
|
|
|
[(2R,3R,4R,5S)-4-(hydroxymethyl)-2,5-bis(7-methoxy-1,3-benzodioxol-5-yl)oxolan-3-yl]methyl acetate
|
474.50
|
2.2
|
1
|
10
|
111.14
|
8
|
|
|
(1S,2S,4S,5R,6S,11R,12R,14R,15S,18S,23R)-12-hydroxy-6,10,10,14,15,21,21-heptamethyl-3,24-dioxaheptacyclo[16.5.2.01,15.02,4.05,14.06,11.018,23]pentacosane-9,25-dione
|
484.70
|
4.8
|
1
|
5
|
76.13
|
0
|
|
|
Zeylasteral
|
494.60
|
6.5
|
2
|
6
|
100.9
|
3
|
|
|
2,5-Dimethylhexane
|
114.23
|
4
|
0
|
0
|
0
|
3
|
|
|
ethyl (2S,3S)-2-(3,4-dihydroxyphenyl)-4-[(E)-3-[(2R)-3-(3,4-dihydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]oxy-3-oxoprop-1-enyl]-7-hydroxy-2,3-dihydro-1-benzofuran-3-carboxylate
|
580.50
|
3.8
|
5
|
12
|
189.28
|
12
|
|
|
(1R,2R)-7-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-2-N,3-N-bis[2-(4-hydroxyphenyl)ethyl]-6-methoxy-1,2-dihydronaphthalene-2,3-dicarboxamide
|
624.70
|
4.9
|
6
|
8
|
157.58
|
11
|
|
|
(9R)-6,8-dihydroxy-7-[(1S)-1-(2-hydroxy-3,3,5,5-tetramethyl-4,6-dioxocyclohexen-1-yl)-2-methylpropyl]-2,2,4,4-tetramethyl-5-(2-methylpropanoyl)-9-propan-2-yl-9H-xanthene-1,3-dione
|
650.80
|
7.5
|
3
|
9
|
155.27
|
6
|
|
|
methyl (6R,7S,8R)-10-methoxy-6-(4-methoxyphenyl)-8-[(2R)-2-(3-methylbutanoylamino)pyrrolidine-1-carbonyl]-9-oxo-7-phenyl-7,8-dihydro-[1,3]dioxolo[4,5-h][1]benzoxepine-6-carboxylate
|
672.70
|
5.8
|
1
|
10
|
138.93
|
10
|
|
|
Clitorin
|
740.70
|
-2
|
11
|
19
|
308.12
|
8
|
|
|
Acetoxyacetone
|
116.11
|
-0.1
|
0
|
3
|
43.37
|
3
|
|
|
(3S,5R,8R,9R,10R,13R,14R,17S)-4,4,8,10,14-pentamethyl-17-[(2S)-6-methyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,5,6,7,9,11,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-12-one
|
783.00
|
3.7
|
8
|
13
|
215.83
|
10
|
|
|
[(3S,4R,5R)-3,4-dihydroxy-5-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]-2-methoxyphenoxy]oxan-2-yl]methoxy]oxolan-3-yl]methyl 3,4-dimethoxybenzoate
|
788.70
|
1
|
6
|
18
|
247.82
|
18
|
|
|
[(2S,3S,4R,5R)-2-[(2R,3R,4S,5S,6R)-6-(acetyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-2,5-bis[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]oxolan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
|
882.80
|
1.9
|
7
|
20
|
292.96
|
21
|
|
|
Smilaside D
|
882.80
|
2.4
|
7
|
20
|
292.96
|
21
|
|
|
Sessiloside
|
941.10
|
2.7
|
10
|
18
|
291.82
|
14
|
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