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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[(2S,3R,4S,5S,6R)-3-[(2S,3R,4S,5S,6S)-4-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-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)-10,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
1061.20
|
0.2
|
13
|
22
|
353.9
|
12
|
|
|
Capilliposide C
|
1241.40
|
-2.8
|
17
|
28
|
445.44
|
13
|
|
|
4-Isopropyl-2-cyclohexen-1-one, (S)-(+)-
|
138.21
|
2
|
0
|
1
|
17.07
|
1
|
|
|
Rel-(1r,2s,3r,4r,6s)p-menthane-1,2,3,6-tetrol
|
204.26
|
-0.3
|
4
|
4
|
80.92
|
1
|
|
|
2-Methylpentan-2-ol
|
102.17
|
1.4
|
1
|
1
|
20.23
|
2
|
|
|
planchol A
|
278.26
|
1.2
|
2
|
6
|
85.22
|
0
|
|
|
[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl] (E)-3-phenylprop-2-enoate
|
280.27
|
0.1
|
3
|
6
|
96.22
|
4
|
|
|
1,3-Benzodioxol-4-ol, 5-[2-(1,3-benzodioxol-5-yl)ethyl]-7-methoxy-
|
316.30
|
3.4
|
1
|
6
|
66.38
|
4
|
|
|
[(3S,4E,6E,12E)-3,14-dihydroxytetradeca-4,6,12-trien-8,10-diynyl] 3-methylbutanoate
|
316.40
|
2.8
|
2
|
4
|
66.76
|
10
|
|
|
(3S,4R,4aS,4bS,7R,9S,10aS)-7-ethenyl-1,1,4a,7-tetramethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-3,4,9-triol
|
320.50
|
3.2
|
3
|
3
|
60.69
|
1
|
|
|
Betaine hydrochloride
|
153.61
|
|
1
|
3
|
37.3
|
2
|
|
|
(2S)-3-(3,4-dihydroxyphenyl)-2-[[2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetyl]amino]propanoic acid
|
389.40
|
2.2
|
4
|
6
|
123.93
|
9
|
|
|
(7,13-Dihydroxy-14-methoxy-3,10-dioxo-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaen-6-yl) hydrogen sulfate
|
396.30
|
0.8
|
3
|
11
|
182.09
|
3
|
|
|
Apteniol D
|
404.40
|
2.9
|
2
|
8
|
111.52
|
11
|
|
|
Sarcaglaboside B
|
408.40
|
-0.1
|
4
|
8
|
125.68
|
3
|
|
|
Sarcaglaboside A
|
410.50
|
-0.1
|
4
|
8
|
125.68
|
3
|
|
|
Glycyrrhizol A
|
420.50
|
6.6
|
2
|
5
|
72.06
|
5
|
|
|
Hyosgerin
|
428.40
|
2.7
|
1
|
9
|
113.66
|
6
|
|
|
(2S,3R)-3,4,8-trihydroxy-2-(2-hydroxypropan-2-yl)-7-methoxy-6-(3-methylbut-2-enyl)-2,3-dihydrofuro[3,2-b]xanthen-5-one
|
442.50
|
4.1
|
4
|
8
|
129.59
|
4
|
|
|
5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
|
448.40
|
0.5
|
7
|
11
|
190.28
|
4
|
|
|
(1R,3aS,5aR,5bR,7R,7aR,11aR,11bR,13aR,13bR)-7-hydroxy-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acid
|
470.70
|
6.5
|
2
|
4
|
74.6
|
2
|
|
|
Terretonin A
|
472.50
|
2.2
|
1
|
8
|
124.04
|
2
|
|
|
[(3S,4aR,6aS,6aR,6bR,8aR,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,6a,7,8,9,10,13,14,14a-tetradecahydropicen-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
|
572.90
|
11.7
|
1
|
3
|
46.53
|
4
|
|
|
1,1-Dimethylcyclohexane
|
112.21
|
3.9
|
0
|
0
|
0
|
0
|
|
|
[(4aS,9R,10aS)-6-hydroxy-1,1,4a-trimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-9-yl] (1R,4aR,4bR,7R,10aR)-7-ethenyl-1,4a,7-trimethyl-9-oxo-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboperoxoate
|
616.90
|
10.9
|
1
|
5
|
72.83
|
6
|
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