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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[(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 (2S)-2-methylbutanoate
|
516.50
|
-0.5
|
6
|
12
|
184.6
|
12
|
|
|
[(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 4-aminobenzoate
|
551.50
|
-0.9
|
7
|
13
|
210.62
|
11
|
|
|
Scutebarbatine D
|
573.60
|
3.5
|
2
|
9
|
132.25
|
8
|
|
|
[(3S,4aR,6aR,6bS,8aR,12aR,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl] (2E,4E)-6-oxodeca-2,4-dienoate
|
590.90
|
11.7
|
0
|
3
|
43.37
|
8
|
|
|
methyl (6R,7S,8R)-10-methoxy-6-(4-methoxyphenyl)-8-[(2S)-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
|
|
|
Scabioside C
|
767.00
|
3.1
|
8
|
13
|
215.83
|
7
|
|
|
(4aR,5R,6aR,6aS,6bR,8aR,10R,11S,12aR,14bS)-5,11-dihydroxy-9,9-bis(hydroxymethyl)-2,2,6a,6b,12a-pentamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
|
845.00
|
-0.3
|
12
|
17
|
296.75
|
9
|
|
|
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
|
464.40
|
0.4
|
8
|
12
|
210.51
|
4
|
|
|
[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl] (1R,5R,9S,13S)-13-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate
|
967.00
|
-2.8
|
14
|
23
|
374.13
|
13
|
|
|
[(2S,3R,4S,5S,6R)-3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4R,5R)-3,4-dihydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-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
|
1253.40
|
-2.3
|
17
|
28
|
453.28
|
15
|
|
|
5-methyl-(211C)1H-pyrimidine-2,4-dione
|
125.11
|
-0.6
|
2
|
2
|
65.72
|
0
|
|
|
4,7-Dimethoxyphenanthren-2-ol
|
254.28
|
4
|
1
|
3
|
38.69
|
2
|
|
|
5-Methyl-2(5H)-furanone
|
98.10
|
0.6
|
0
|
2
|
26.3
|
0
|
|
|
(1S,3E,7E,11S,12R)-4,8,12,15,15-pentamethylbicyclo[9.3.1]pentadeca-3,7-dien-12-ol
|
290.50
|
4.7
|
1
|
1
|
20.23
|
0
|
|
|
Hedysarimcoumestan B
|
298.25
|
2.7
|
2
|
6
|
93.04
|
1
|
|
|
[4-(1-Hydroxy-5-methylnaphthalen-2-yl)-2-methyl-4-oxobutyl] acetate
|
300.30
|
4
|
1
|
4
|
63.6
|
6
|
|
|
alpha-Angelica lactone
|
98.10
|
0.6
|
0
|
2
|
26.3
|
0
|
|
|
nigrolineaxanthone T
|
360.40
|
3
|
4
|
7
|
120.36
|
4
|
|
|
Ubisemiquinone
|
863.30
|
19.4
|
0
|
4
|
52.6
|
31
|
|
|
[(4S,5S,7Z,10R,11R)-7-methyl-6,9,13-trioxo-4,10-bis(prop-1-en-2-yl)-12-oxabicyclo[9.2.1]tetradeca-1(14),7-dien-5-yl] acetate
|
386.40
|
3.7
|
0
|
6
|
86.74
|
4
|
|
|
Stilbostemin B 3'-beta-d-glucopyranoside
|
390.40
|
1.7
|
5
|
7
|
119.61
|
6
|
|
|
(Z)-3-Hexenylvicianoside
|
394.40
|
-2.4
|
6
|
10
|
158.3
|
8
|
|
|
(3S,5S,9R,10S,13R,17R)-17-[(2R,5S)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
|
400.70
|
8.5
|
1
|
1
|
20.23
|
5
|
|
|
trans-Zeatin riboside monophosphate
|
431.34
|
-2.6
|
6
|
12
|
202.12
|
8
|
|
|
[(1S,4aR,6S,6aS,7R,11aS,11bS)-6-acetyloxy-4a,7-dihydroxy-4,4,7,11b-tetramethyl-1,2,3,5,6,6a,11,11a-octahydronaphtho[2,1-f][1]benzofuran-1-yl] acetate
|
434.50
|
2.5
|
2
|
7
|
106.2
|
4
|
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