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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
3-O-vanillyceanothic acid
|
636.80
|
8.9
|
3
|
8
|
130.36
|
7
|
|
|
(R)-2-(((2R,3R)-4-((E)-3-((R)-1-Carboxy-2-(3,4-dihydroxyphenyl)ethoxy)-3-oxoprop-1-en-1-yl)-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydrobenzofuran-3-carbonyl)oxy)-3-(3,4-dihydroxyphenyl)propanoic acid
|
718.60
|
4
|
9
|
16
|
278.04
|
14
|
|
|
Smilaside B
|
736.70
|
0.1
|
7
|
18
|
266.66
|
17
|
|
|
bruguierins C
|
759.20
|
15
|
3
|
6
|
96.22
|
23
|
|
|
methyl (2S,3S,4S,5R,6R)-6-[[(2S,3R,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-2-hydroxy-4,4,6a,6b,11,11,14b-heptamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,5-dihydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylate
|
987.10
|
2.1
|
11
|
20
|
321.28
|
11
|
|
|
(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-3-[(2S,3R,4R,5S,6S)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
|
999.20
|
1.8
|
10
|
19
|
293.21
|
9
|
|
|
[(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] (4aS,6aR,6aS,6bR,8aR,9R,10R,11S,12aR,14bS)-11-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
1091.20
|
-0.7
|
14
|
23
|
374.13
|
12
|
|
|
8H-1,3-Dioxolo[4,5-h][1]benzopyran-8-one, 4-hydroxy-
|
206.15
|
1.4
|
1
|
5
|
68.9
|
0
|
|
|
Angelicoin B
|
208.21
|
2.4
|
1
|
4
|
55.76
|
1
|
|
|
Angelicoin A
|
262.30
|
4
|
2
|
4
|
66.76
|
2
|
|
|
[(1R,2R,4Z,9Z,11S)-4,12,12-trimethyl-8-oxo-2-bicyclo[9.1.0]dodeca-4,9-dienyl] acetate
|
276.40
|
2.8
|
0
|
3
|
43.37
|
2
|
|
|
(E)-5-(4-hydroxy-3-methoxy-phenyl)-1-(1-piperidyl)pent-2-en-1-one
|
289.40
|
2.2
|
1
|
3
|
49.77
|
5
|
|
|
methyl (14Z,16Z)-octadeca-14,16-dienoate
|
294.50
|
7.3
|
0
|
2
|
26.3
|
15
|
|
|
(1S)-((2R,4S,5R)-5-Ethylquinuclidin-2-yl)(quinolin-4-yl)methanol
|
296.40
|
2.9
|
1
|
3
|
36.36
|
3
|
|
|
(1S,4S,6S,10R,14Z)-14-[(E)-4-hydroxy-4-methylpent-2-enylidene]-4-methyl-9-methylidene-5,12-dioxatricyclo[8.4.0.04,6]tetradecan-13-one
|
332.40
|
2.3
|
1
|
4
|
59.06
|
2
|
|
|
Methyl 4-O-coumaroylquinate
|
352.30
|
0.3
|
4
|
8
|
133.52
|
6
|
|
|
14-Deoxy-17-hydroxyandrographolide
|
352.50
|
2.8
|
3
|
5
|
86.99
|
5
|
|
|
Deoxypseudopterolide
|
356.40
|
4.8
|
0
|
5
|
65.74
|
4
|
|
|
Gardaloside
|
358.34
|
-2.5
|
5
|
9
|
145.91
|
4
|
|
|
(2R,3R,4R)-4-(4-hydroxy-3-methoxy-phenyl)-2,3-bis(hydroxymethyl)-7-methoxy-tetralin-6-ol
|
360.40
|
2
|
4
|
6
|
99.38
|
5
|
|
|
(3R,4R)-3,4-bis[(4-hydroxy-3-methoxyphenyl)(113C)methyl](213C)oxolan-2-one
|
361.40
|
3.3
|
2
|
6
|
85.22
|
6
|
|
|
(E)-3-(3,4-dihydroxy-2-methoxyphenyl)-1-[3,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]prop-2-en-1-one
|
370.40
|
4.2
|
4
|
6
|
107.22
|
6
|
|
|
(9R,10R,11R,14S,15S)-10-ethyl-14-methyl-3-[(2R,4S)-4-methyl-5-oxooxolan-2-yl]-12-oxa-4-azatetracyclo[7.6.1.04,16.011,15]hexadeca-1(16),2-dien-13-one
|
371.50
|
3.1
|
0
|
4
|
57.53
|
2
|
|
|
[(3S,4R,5S)-5-(1,3-benzodioxol-5-yl)-4-(hydroxymethyl)oxolan-3-yl]-(4-methoxy-1,3-benzodioxol-5-yl)methanone
|
400.40
|
1.9
|
1
|
8
|
92.68
|
5
|
|
|
[(1S,8S,11R,12S,13R,17S,18S,19R)-12,13-dihydroxy-14,14,18-trimethyl-9-oxo-4,10-dioxapentacyclo[9.7.1.03,7.08,19.013,18]nonadeca-3(7),5-dien-17-yl] acetate
|
404.50
|
1.9
|
2
|
7
|
106.2
|
2
|
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