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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(2R,3R,4S,5S,6R)-2-[(2S,3S)-4-hydroxy-2,3-bis[(4-hydroxy-3,5-dimethoxyphenyl)methyl]butoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
584.60
|
0.9
|
7
|
13
|
196.99
|
14
|
|
|
osmanthuside B
|
592.60
|
0.2
|
7
|
13
|
204.83
|
11
|
|
|
[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,1aR,4S,4aS,7R,7aS,7bS)-4-hydroxy-1,7-dimethyl-4-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulene-1-carboxylate
|
592.60
|
-2
|
9
|
14
|
236.06
|
8
|
|
|
Reticulatacin
|
592.90
|
12.9
|
2
|
5
|
75.99
|
28
|
|
|
Gigantetrocinone
|
596.90
|
8.4
|
3
|
7
|
113.29
|
26
|
|
|
orthosiphol J
|
612.70
|
3.4
|
1
|
11
|
159.57
|
10
|
|
|
Gelomuloside A
|
622.60
|
0.1
|
7
|
15
|
227.2
|
8
|
|
|
Cannabisin G
|
624.70
|
5.4
|
6
|
8
|
157.58
|
13
|
|
|
(5R)-5-[(11R)-11-hydroxy-11-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-yl]-5-oxoundecyl]-3-(2-oxopropyl)oxolan-2-one
|
636.90
|
7
|
2
|
8
|
119.36
|
25
|
|
|
4-[9-[(5R)-5-[(1R,4R)-4-[(2R,5R)-5-[(1S)-1,5-dihydroxyundecyl]oxolan-2-yl]-1,4-dihydroxybutyl]oxolan-2-yl]nonyl]-2-methyl-2H-furan-5-one
|
638.90
|
8
|
4
|
8
|
125.68
|
25
|
|
|
Jacarelhyperol B
|
652.60
|
5.9
|
5
|
12
|
189.26
|
3
|
|
|
(1S,2R)-5,9-dihydroxy-2-(2-hydroxypropan-2-yl)-1-(1-hydroxy-3,5,6-trimethoxy-9-oxo-10H-acridin-2-yl)-10-methoxy-11-methyl-1,2-dihydrofuro[2,3-c]acridin-6-one
|
670.70
|
5.5
|
5
|
13
|
181.93
|
6
|
|
|
(+)-Malekulatine
|
670.80
|
6.3
|
2
|
10
|
102.32
|
11
|
|
|
Nagilactoside D
|
672.70
|
-3
|
8
|
16
|
255.27
|
7
|
|
|
orthosiphonone A
|
674.70
|
5
|
1
|
11
|
159.57
|
11
|
|
|
5-[(2R,3R,5S,6S)-3-(3,5-dihydroxyphenyl)-2,6-bis(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3,5,6-tetrahydrofuro[3,2-f][1]benzofuran-5-yl]benzene-1,3-diol
|
680.70
|
7.7
|
7
|
9
|
160.07
|
6
|
|
|
methyl (2S,6R,8R,13S,14R,15R,16S,17R)-15,16-dihydroxy-9,13-dimethyl-3-(3-methylbutanoyloxy)-4,11-dioxo-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate
|
684.70
|
-1.1
|
6
|
16
|
245.04
|
9
|
|
|
1,21-Docosadiene
|
306.60
|
11.1
|
0
|
0
|
0
|
19
|
|
|
[(1R,2S,3S,5S,8R,9R,10S,11S,13R,16S)-2,5,9,11,16-pentaacetyloxy-3-(2-hydroxypropan-2-yl)-6,10-dimethyl-14-oxatetracyclo[8.6.0.03,7.013,16]hexadec-6-en-8-yl] benzoate
|
714.80
|
1.9
|
1
|
14
|
187.26
|
14
|
|
|
9,9'-Di-O-(E)-feruloylsecoisolariciresinol
|
714.80
|
7.1
|
4
|
12
|
170.44
|
19
|
|
|
2-[(E)-3-[2-[(Z)-3-[1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-1-(3,4-dihydroxyphenyl)-3-oxoprop-1-en-2-yl]-3,4-dihydroxyphenyl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid
|
718.60
|
4.4
|
10
|
16
|
289.04
|
15
|
|
|
Hellebrigenin 3-O-glucosylrhamnoside
|
724.80
|
-1.7
|
8
|
15
|
246.04
|
7
|
|
|
Kaempferol-3-O-(2',6'-di-O-trans-p-coumaroyl)-beta-D-glucopyranoside
|
740.70
|
4.8
|
7
|
15
|
242.88
|
12
|
|
|
[(2R,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4-dihydroxy-5-[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
|
740.70
|
4.8
|
7
|
15
|
242.88
|
12
|
|
|
Purine
|
120.11
|
-0.4
|
1
|
3
|
54.46
|
0
|
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