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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
methyl (1S,4aS,5S,6S,7R,7aS)-5,6,7-trihydroxy-7-methyl-1-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate
|
422.40
|
-3.6
|
7
|
12
|
195.6
|
5
|
|
|
3-[(1R,2S,6R)-2-[2-[(1S,4aS,6R,8aR)-5,5,8a-trimethyl-2-methylidene-6-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]-1,3-dimethyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]propanoic acid
|
618.80
|
5.7
|
5
|
8
|
136.68
|
10
|
|
|
(3R,4R)-4-[[3-[(1R,2R)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-4-hydroxy-5-methoxyphenyl]methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
|
554.60
|
3.1
|
5
|
10
|
155.14
|
11
|
|
|
(2R,3S,4S,5S,6R)-2-[[(2S,3R,4R)-2-(4-hydroxy-3-methoxyphenyl)-4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-3-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
522.50
|
0.8
|
6
|
11
|
167.53
|
9
|
|
|
(1aR,7S,7aS,7bS)-1,1,4,7-tetramethyl-1a,2,3,5,6,7,7a,7b-octahydrocyclopropa[e]azulene
|
204.35
|
4
|
0
|
0
|
0
|
0
|
|
|
(2S,3R,4S,5R,6R)-2-(4-hydroxy-2,6-dimethoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
|
332.30
|
-0.9
|
5
|
9
|
138.07
|
5
|
|
|
CID 154496882
|
352.50
|
2.6
|
2
|
5
|
75.99
|
0
|
|
|
[(2R,4aR,5S,6R,8S,8aR)-5-[2-(furan-3-yl)ethyl]-5,8-dihydroxy-1,1,4a,6-tetramethyl-7-oxo-2,3,4,6,8,8a-hexahydronaphthalen-2-yl] acetate
|
392.50
|
2.8
|
2
|
6
|
96.97
|
5
|
|
|
(2R)-5-hydroxy-7-methoxy-8-methyl-4-oxo-2-phenyl-2,3-dihydrochromene-6-carbaldehyde
|
312.30
|
2.9
|
1
|
5
|
72.83
|
3
|
|
|
[(1S,5S,6S,8R)-8-acetyloxy-5-[(1R,3S)-1-acetyloxy-3-hydroxy-3-methylpent-4-enyl]-1,5,6-trimethyl-2-oxo-4,6,7,8-tetrahydro-3H-naphthalen-1-yl]methyl acetate
|
478.60
|
1.9
|
1
|
8
|
116.2
|
11
|
|
|
(2S,3S,4S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,4,5,7-tetrol
|
306.27
|
-0.8
|
6
|
7
|
130.61
|
1
|
|
|
(2S,3R,4S)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,4,5,7-tetrol
|
322.27
|
0
|
7
|
8
|
150.84
|
1
|
|
|
(12S,19R)-12-ethyl-19-hydroxy-8,16-diazatetracyclo[10.6.1.02,7.016,19]nonadeca-1(18),2,4,6-tetraene-9,17-dione
|
326.40
|
1
|
2
|
3
|
69.64
|
1
|
|
|
[(1S,12S,14R)-9-hydroxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-yl] (3S)-3-hydroxybutanoate
|
359.40
|
1.8
|
2
|
6
|
79.23
|
4
|
|
|
(Z)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-2-enenitrile
|
245.23
|
-2.2
|
4
|
7
|
123.17
|
4
|
|
|
(2R)-7-(2,4-dihydroxyphenyl)-2-(hydroxymethyl)-5-methoxy-2-methyl-3,4-dihydropyrano[3,2-g]chromen-8-one
|
384.40
|
2.7
|
3
|
7
|
109.36
|
3
|
|
|
methyl (2R,3S,4S)-4-[2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl]-3-(2-oxoethyl)-2-[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate
|
556.50
|
-1.2
|
6
|
14
|
218.74
|
13
|
|
|
methyl (2R,3S,4S)-4-[2-[2-(4-hydroxyphenyl)ethoxy]-2-oxoethyl]-3-(2-oxoethyl)-2-[(2S,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate
|
540.50
|
-0.8
|
5
|
13
|
198.51
|
13
|
|
|
5-hydroxy-2-(4-methoxyphenyl)-7-[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
|
592.50
|
-0.5
|
7
|
14
|
217.97
|
7
|
|
|
(3E,4R)-4-hydroxy-5-methylidene-3-tetradecylideneoxolan-2-one
|
308.50
|
6.7
|
1
|
3
|
46.53
|
12
|
|
|
(4aS,8aR)-3,8a-dimethyl-5-methylidene-4,4a,6,9-tetrahydrobenzo[f][1]benzofuran
|
214.30
|
3.7
|
0
|
1
|
13.14
|
0
|
|
|
(2R)-7-[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2,3-dihydrochromen-4-one
|
580.50
|
-1.4
|
8
|
14
|
225.06
|
7
|
|
|
(2S,3S,4S,5S,6R)-2-[4-[(3S,3aR,6S,6aR)-6-[3,5-dimethoxy-4-[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2,6-dimethoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
742.70
|
-1.4
|
8
|
18
|
254.14
|
12
|
|
|
(6aS)-1,2,9-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-10-ol
|
341.40
|
3
|
1
|
5
|
51.16
|
3
|
|
|
(6aS)-1,9-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,10-diol
|
327.40
|
2.7
|
2
|
5
|
62.16
|
2
|
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