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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Nyasicoside
|
478.40
|
-0.2
|
9
|
11
|
200.53
|
7
|
|
|
(2R,3R,4S,5S,6R)-2-[(1S,2R)-1,5-bis(3,4-dihydroxyphenyl)-1-methoxypent-4-yn-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
492.50
|
0.3
|
8
|
11
|
189.53
|
8
|
|
|
(1R,2S,3R)-2-(3,5-dihydroxyphenyl)-1-[(R)-ethoxy-(4-hydroxyphenyl)methyl]-3-(4-hydroxyphenyl)-2,3-dihydro-1H-indene-4,6-diol
|
500.50
|
4.8
|
6
|
7
|
130.61
|
6
|
|
|
10-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxydeca-4,6-diynoic acid
|
504.50
|
-2.4
|
8
|
13
|
215.83
|
11
|
|
|
Wwihqmxkphuikr-uvfbovlqsa-
|
506.70
|
5.4
|
5
|
6
|
118.22
|
6
|
|
|
(2R,4aS,6aR,6aS,6bR,8aR,12aR,14bR)-N-tert-butyl-2,4a,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-2-carboxamide
|
509.80
|
7.9
|
1
|
2
|
46.17
|
2
|
|
|
(3R,8S,9R,10R,13R,14S,16R,17R)-17-[(E,2S)-2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl]-3,16-dihydroxy-4,4,9,13,14-pentamethyl-3,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-2,11-dione
|
516.70
|
1.9
|
4
|
7
|
132.13
|
4
|
|
|
(2S,3R,4S)-3-ethenyl-4-[[(1R)-7-hydroxy-6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylic acid
|
523.50
|
-2.6
|
7
|
12
|
187.4
|
8
|
|
|
3-Acetoxy-27-hydroxy-20(29)-lupen-28-oic acid methyl ester
|
528.80
|
7.7
|
1
|
5
|
72.83
|
6
|
|
|
Cinchonan-9-ol, 6'-methoxy-, (8alpha,9R)-
|
324.40
|
2.9
|
1
|
4
|
45.59
|
4
|
|
|
alpha-Collatolic acid
|
526.60
|
5.7
|
2
|
9
|
136.43
|
14
|
|
|
3'-Methoxyrocaglamide
|
535.60
|
2.8
|
2
|
8
|
106.92
|
7
|
|
|
methyl (1R,2R,3S,3aR,8bS)-1-formyloxy-8b-hydroxy-3a-(3-hydroxy-4-methoxyphenyl)-6,8-dimethoxy-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxylate
|
536.50
|
2.9
|
2
|
10
|
129.98
|
9
|
|
|
6,7-dimethoxy-4-[6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3-benzodioxol-5-yl]-1H-benzo[f][2]benzofuran-3-one
|
542.50
|
1.8
|
4
|
12
|
162.6
|
6
|
|
|
Oxepahyperforin
|
552.80
|
7.9
|
1
|
5
|
80.67
|
9
|
|
|
(1S,3S,8R,9R,10S)-3-(2-hydroperoxypropan-2-yl)-9-methyl-6,10-bis(3-methylbut-2-enyl)-9-(4-methylpent-3-enyl)-8-(2-methylpropanoyl)-4-oxatricyclo[6.3.1.01,5]dodec-5-ene-7,12-dione
|
568.80
|
8.2
|
1
|
6
|
89.9
|
11
|
|
|
[(3S,4aR,6aR,6bS,8aR,12aR,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
|
572.90
|
11.5
|
1
|
3
|
46.53
|
4
|
|
|
6-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
|
578.50
|
-0.7
|
9
|
14
|
239.97
|
4
|
|
|
5-hydroxy-2-[3-[(2R)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxo-2,3-dihydrochromen-6-yl]-4-methoxyphenyl]-7-methoxychromen-4-one
|
582.60
|
5.7
|
3
|
10
|
144.89
|
6
|
|
|
[(1'S,2R,2'S,3'R,5'S,7'S,8'S,9'R,10'R,13'S)-2',5',9',10'-tetraacetyloxy-1',13'-dihydroxy-8',12',15',15'-tetramethylspiro[oxirane-2,4'-tricyclo[9.3.1.03,8]pentadec-11-ene]-7'-yl] acetate
|
610.60
|
0
|
2
|
13
|
184.49
|
10
|
|
|
[(3S,4R,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
|
620.90
|
8.3
|
4
|
6
|
107.22
|
6
|
|
|
(Z)-4-[(1S,2S,19S,21R)-14-Hydroxy-8,23,23-trimethyl-5-(3-methylbut-2-enyl)-16,20-dioxo-11-prop-1-en-2-yl-3,7,22-trioxaheptacyclo[17.4.1.18,12.02,17.02,21.04,15.06,13]pentacosa-4(15),5,13,17-tetraen-21-yl]-2-methylbut-2-enoic acid
|
628.70
|
6.9
|
2
|
8
|
119.36
|
6
|
|
|
Cryptophycin 30
|
657.20
|
6
|
3
|
8
|
140.26
|
8
|
|
|
Premyrsinol-3-propanoate-5-benzoate-7,13,17-triacetate
|
670.70
|
4.2
|
1
|
12
|
168.8
|
13
|
|
|
Suffruticosol B
|
680.70
|
6.8
|
8
|
9
|
171.07
|
4
|
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