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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Euchrenone b8
|
420.50
|
4.8
|
3
|
6
|
100.13
|
4
|
|
|
Euchrenone b7
|
422.50
|
4.5
|
3
|
6
|
100.13
|
4
|
|
|
Euchrenone b9
|
420.50
|
4.8
|
3
|
6
|
100.13
|
4
|
|
|
6-Methoxymaackiain
|
314.29
|
2.5
|
1
|
6
|
66.38
|
1
|
|
|
Euchrenone a8
|
422.50
|
6
|
2
|
5
|
75.99
|
6
|
|
|
[(1S,3R,4S,5S,6R,8S,10R,11S,12S,13R,15R,17S,29R,30S,31S,33R)-4,5,11,12-Tetrahydroxy-6-(hydroxymethyl)-13,31-dimethyl-27-oxo-17-pentyl-30-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,7,9,14,16,28,32-heptaoxatetracyclo[27.3.1.03,8.010,15]tritriacontan-33-yl] (2S)-2-methylbutanoate
|
939.10
|
3.1
|
8
|
20
|
288.28
|
11
|
|
|
(11S)-11-[(2R,3R,4S,5S,6R)-3-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxyhexadecanoic acid
|
873.00
|
0.3
|
11
|
20
|
313.44
|
23
|
|
|
2-[[(10R,11S,12R,13R,15R)-3,4,5,13,22,23-hexahydroxy-8,18-dioxo-11,12-bis[(3,4,5-trihydroxybenzoyl)oxy]-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-21-yl]oxy]-3,4,5-trihydroxybenzoic acid
|
954.70
|
1.6
|
16
|
27
|
464.41
|
9
|
|
|
Methyl 1-(methylsulfinyl)propyl disulfide
|
184.40
|
1
|
0
|
4
|
86.88
|
4
|
|
|
1-(Methylsulfinyl)propyl propyl disulfide
|
212.40
|
1.9
|
0
|
4
|
86.88
|
6
|
|
|
1-(Methylsulfinyl)propyl 1-propenyl disulfide
|
210.40
|
1.8
|
0
|
4
|
86.88
|
5
|
|
|
(2S,4R)-4-Methoxy-1-methylpyrrolidine-2-carboxylic acid
|
159.18
|
-1.7
|
1
|
3
|
53.8
|
1
|
|
|
5,3',4',5'-Tetramethoxy-6,7-methylenedioxyflavone
|
386.40
|
2.9
|
0
|
8
|
85.59
|
5
|
|
|
3,5,3'-Trimethoxy-6,7:4',5'-bis(methylenedioxy)flavone
|
400.30
|
2.9
|
0
|
9
|
94.82
|
4
|
|
|
(4S,5S)-4-(4-hydroxy-3-methoxyphenyl)-4-(1H-imidazol-2-yl)trithian-5-ol
|
342.50
|
1.3
|
3
|
7
|
154.27
|
3
|
|
|
Epi-Cryptoacetalide
|
286.40
|
4.3
|
0
|
3
|
35.53
|
0
|
|
|
(3aS,5aS,9aR,9bS)-3a,7,9b-trimethyl-2,3,5a,8,9,9a-hexahydro-1H-cyclopenta[c]chromen-4-one
|
234.33
|
3.3
|
0
|
2
|
26.3
|
0
|
|
|
(3aS,5aS,9aR,9bS)-3a-(hydroxymethyl)-7,9b-dimethyl-2,3,5a,8,9,9a-hexahydro-1H-cyclopenta[c]chromen-4-one
|
250.33
|
2.7
|
1
|
3
|
46.53
|
1
|
|
|
[(2S,3aS,7aR)-2-(furan-3-yl)-4,4-dimethyl-2,3,3a,5,6,7-hexahydro-1-benzofuran-7a-yl]methanol
|
250.33
|
2.5
|
1
|
3
|
42.6
|
2
|
|
|
[5,12-Diacetyloxy-6-(acetyloxymethyl)-2-hydroxy-2,10,10-trimethyl-8-(2-methylbutanoyloxy)-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] benzoate
|
632.70
|
3.3
|
1
|
12
|
160.96
|
14
|
|
|
[12-Acetyloxy-6-(acetyloxymethyl)-7-benzoyloxy-2-hydroxy-2,10,10-trimethyl-8-(2-methylbutanoyloxy)-11-oxatricyclo[7.2.1.01,6]dodecan-5-yl] benzoate
|
694.80
|
5
|
1
|
12
|
160.96
|
15
|
|
|
[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] 5,9-dimethyl-14-methylidene-15-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate
|
642.70
|
0.5
|
8
|
13
|
215.83
|
7
|
|
|
[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] 14-hydroxy-14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate
|
498.60
|
1.6
|
6
|
9
|
156.91
|
5
|
|
|
1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,8a,9,10,10a-dodecahydro-8a-hydroxy-1,4a-dimethyl-7-(1-methylethyl)-6-oxo-, [1R-(1I+/-,4aI(2),4bI+/-,8aI+/-,10aI+/-)]-
|
334.40
|
3.1
|
2
|
4
|
74.6
|
2
|
|
|
(4aR,7R,8R,8aS)-4-(hydroxymethyl)-4a,7,8-trimethyl-8-(3-methylidenepent-4-enyl)-5,6,7,8a-tetrahydro-1H-naphthalen-2-one
|
302.50
|
4.8
|
1
|
2
|
37.3
|
5
|
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