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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(5S)-1-(4-hydroxy-3-methoxyphenyl)-5-methoxydecan-3-one
|
308.40
|
3.6
|
1
|
4
|
55.76
|
11
|
|
|
(8)-Gingerdione
|
320.40
|
3.7
|
1
|
4
|
63.6
|
12
|
|
|
[10]-Gingerdione
|
348.50
|
4.7
|
1
|
4
|
63.6
|
14
|
|
|
(E)-1-phenyl-3-(2,4,6-trihydroxyphenyl)prop-2-en-1-one
|
256.25
|
2.6
|
3
|
4
|
77.76
|
3
|
|
|
(19R)-19-Ethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione
|
364.40
|
0.6
|
2
|
6
|
101.65
|
1
|
|
|
19-Ethenyl-18-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-2(11),4,6,8,15-pentaene-10,14-dione
|
512.50
|
-0.6
|
5
|
10
|
161.78
|
4
|
|
|
Leuconolam
|
326.40
|
1
|
2
|
3
|
69.64
|
1
|
|
|
(3E,5E)-trideca-3,5-dien-7,9,11-triyn-1-ol
|
184.23
|
2.7
|
1
|
1
|
20.23
|
5
|
|
|
6-[(2R,4R,5R,6R)-4,5-dihydroxy-6-methyloxan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
|
400.40
|
1.7
|
5
|
8
|
140.59
|
2
|
|
|
6-(4,5-Dihydroxy-6-methyloxan-2-yl)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one
|
430.40
|
1.7
|
5
|
9
|
149.82
|
3
|
|
|
1,4-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-3,5-dihydroxycyclohexane-1-carboxylic acid
|
516.40
|
1.5
|
7
|
12
|
211.28
|
9
|
|
|
[(1R,3R,5S,7S,8S,9R,10R,13S)-7,9,10,13-tetraacetyloxy-8,12,15,15-tetramethyl-4-methylidene-5-tricyclo[9.3.1.03,8]pentadec-11-enyl] 3-(dimethylamino)-3-phenylpropanoate
|
695.80
|
4.3
|
0
|
11
|
134.74
|
14
|
|
|
(3R,3aS,8aS)-8a-methyl-8-oxo-3-propan-2-yl-1,2,3,3a,6,7-hexahydroazulene-5-carbaldehyde
|
234.33
|
2.7
|
0
|
2
|
34.14
|
2
|
|
|
(1R,3aS,8aS)-7-(hydroxymethyl)-3a-methyl-1-propan-2-yl-1,2,3,5,6,8a-hexahydroazulen-4-one
|
236.35
|
2.2
|
1
|
2
|
37.3
|
2
|
|
|
beta-1-C-ethyl-1-deoxymannojirimycin
|
191.22
|
-1.4
|
5
|
5
|
92.95
|
2
|
|
|
(E)-2-Methyl-2-butenyl angelate
|
168.23
|
2.8
|
0
|
2
|
26.3
|
4
|
|
|
[(2R,3R,4S,5R,6S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl (E)-3-phenylprop-2-enoate
|
478.40
|
2.7
|
0
|
11
|
140.73
|
13
|
|
|
[(1R,4S,5R,6S,7R,11S)-4,5-diacetyloxy-2,10-dioxatricyclo[5.3.1.04,11]undecan-6-yl] acetate
|
328.31
|
0
|
0
|
8
|
97.36
|
6
|
|
|
[(2R,3R,4S,5R,6S)-6-[[(2S,8S,9R,10R,13R,14S,16R,17R)-17-acetyl-16-acetyloxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-2-yl]oxy]-3,4,5-triacetyloxyoxan-2-yl]methyl acetate
|
774.80
|
2.2
|
0
|
15
|
201.17
|
14
|
|
|
[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[[(2S,8S,9R,10R,13R,14S,16R,17R)-16-acetyloxy-17-[(2R)-2-hydroxy-3-oxobutan-2-yl]-4,4,9,13,14-pentamethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-2-yl]oxy]oxan-2-yl]methyl acetate
|
818.90
|
2.1
|
1
|
16
|
221.4
|
15
|
|
|
[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[[(2S,3R,8S,9R,10R,13R,14S,16R,17R)-3,16-diacetyloxy-17-[(2R)-2-hydroxy-3-oxobutan-2-yl]-4,4,9,13,14-pentamethyl-11-oxo-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-2-yl]oxy]oxan-2-yl]methyl acetate
|
863.00
|
2.5
|
1
|
17
|
230.63
|
17
|
|
|
7-(hydroxymethyl)-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-5,6,7-triol
|
380.34
|
-3.7
|
8
|
11
|
189.53
|
4
|
|
|
(1S,4aR,5S,6S,7R,7aS)-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-5,6,7-triol
|
380.34
|
-3.7
|
8
|
11
|
189.53
|
4
|
|
|
8-Methyl-8-azabicyclo[3.2.1]octane-2,6-diol
|
157.21
|
-0.2
|
2
|
3
|
43.7
|
0
|
|
|
26-Nor-8-oxo-alpha-onocerin
|
444.70
|
6
|
2
|
3
|
57.53
|
3
|
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