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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
7-Chloro-1,2,3-trihydroxy-6-methoxyxanthen-9-one
|
308.67
|
3
|
3
|
6
|
100.13
|
1
|
|
|
(2R,6S)-4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),4,13,15(19)-tetraen-3-ol
|
315.40
|
0.2
|
1
|
5
|
51.16
|
1
|
|
|
CID 11809239
|
316.30
|
-2.1
|
5
|
8
|
136.68
|
5
|
|
|
2',3'-DI-O-Acetyl-5'-deoxy-5-fluorocytidine
|
329.28
|
-0.7
|
1
|
7
|
122.74
|
5
|
|
|
(2S,3R,4S,5S,6R)-2-[(1S,2S,5R)-2-hydroxy-5-(2-hydroxypropan-2-yl)-2-methylcyclohexyl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
350.40
|
-1.4
|
6
|
8
|
139.84
|
4
|
|
|
(+/-)-Leachianone G
|
356.40
|
4
|
4
|
6
|
107.22
|
3
|
|
|
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(3,4,5-trimethoxyphenyl)methoxy]oxane-3,4,5-triol
|
360.36
|
-0.8
|
4
|
9
|
127.07
|
7
|
|
|
Syringyl propanol
|
226.27
|
2
|
2
|
4
|
58.92
|
5
|
|
|
Cycloaltilisin 7
|
406.50
|
5.6
|
2
|
5
|
75.99
|
4
|
|
|
7-Methyloctan-4-ol
|
144.25
|
3
|
1
|
1
|
20.23
|
5
|
|
|
14,15-Dihydroclerodin
|
436.50
|
3
|
0
|
7
|
83.59
|
6
|
|
|
Isovouacapenol B
|
438.60
|
4.7
|
2
|
5
|
79.9
|
3
|
|
|
(3S,8S,9R,10S,13R,14S,17R)-10,13-dimethyl-17-[(1S)-1-[(1R,2R)-2-methyl-2-[(2R)-3-methylbutan-2-yl]cyclopropyl]ethyl]-1,2,3,4,7,8,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,9-diol
|
442.70
|
7.5
|
2
|
2
|
40.46
|
4
|
|
|
Dendromoniliside C
|
444.50
|
-1
|
5
|
10
|
158.44
|
4
|
|
|
NCGC00384849-01_C21H34O10_2H-Cyclohepta[b]furan-2-one, 4-acetyl-6-[1-(beta-D-glucopyranosyloxy)-1-methylethyl]octahydro-8a-(hydroxymethyl)-, (3aS,4R,6R,8aR)-
|
446.50
|
-1.6
|
5
|
10
|
162.98
|
6
|
|
|
(1S,2S,4S,5'S,6R,7S,8R,9S,12S,13S,14S,15R,16R,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-14,15,16,18-tetrol
|
464.60
|
3.1
|
4
|
6
|
99.38
|
0
|
|
|
24-Epicastasterone
|
464.70
|
4.7
|
4
|
5
|
97.99
|
5
|
|
|
(2S,3R,4S,5S,6R)-2-[[(2R,3S)-3-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-5-methoxy-3,4-dihydro-2H-chromen-7-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
480.50
|
0.3
|
6
|
11
|
167.53
|
6
|
|
|
(3R)-12-[(2R,5R,6S)-5-hydroxy-6-methylpiperidin-2-yl]-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxydodecanoic acid
|
491.60
|
-0.7
|
7
|
10
|
168.94
|
15
|
|
|
[(1S,2S,5S,8R,9R,10R)-1,2,9,10-tetrahydroxy-8,12,15,15-tetramethyl-4-methylidene-13-oxo-5-tricyclo[9.3.1.03,8]pentadec-11-enyl] (E)-3-phenylprop-2-enoate
|
496.60
|
1.7
|
4
|
7
|
124.29
|
4
|
|
|
[(1S,3R,5S,7R,8R,9R,10S,13S,17R)-1-acetyloxy-17-(furan-3-yl)-3-hydroxy-4,4,8,10,13-pentamethyl-2,3,5,6,7,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-7-yl] acetate
|
498.60
|
5.4
|
1
|
6
|
85.97
|
5
|
|
|
(2S,3S,7R,8S)-3-(3,5-dihydroxyphenyl)-2,7-bis(4-hydroxyphenyl)-3,7,8,9-tetrahydro-2H-furo[2,3-f]chromene-4,8-diol
|
500.50
|
4
|
6
|
8
|
139.84
|
3
|
|
|
7-[(E,4R,6R)-4,7-dihydroxy-3,7-dimethyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoct-2-enoxy]chromen-2-one
|
510.50
|
0.2
|
6
|
11
|
179.28
|
10
|
|
|
(2S)-4-[(13R)-13-Hydroxy-13-[(2R,5R)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one
|
564.90
|
11.8
|
2
|
5
|
75.99
|
26
|
|
|
(5S)-3-[(13R)-13-Hydroxy-8-oxo-13-[(2R,5R)-tetrahydro-5-[(1R)-1-hydroxytridecyl]-2-furanyl]tridecyl]-5-methyl-2(5H)-furanone
|
578.90
|
9.4
|
2
|
6
|
93.06
|
26
|
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