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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(1R,2R,4S,5R,9S,10S,12S,13R)-12-acetyloxy-2-hydroxy-5,9,14-trimethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-ene-5-carboxylic acid
|
376.50
|
3.1
|
2
|
5
|
83.83
|
3
|
|
|
(1R,4S,5R,9S,10S,12S,13S,14S,16R)-12-acetyloxy-5,9,14-trimethyl-15-oxapentacyclo[11.3.1.01,10.04,9.014,16]heptadecane-5-carboxylic acid
|
376.50
|
3.7
|
1
|
5
|
76.13
|
3
|
|
|
[(2S,6R,7R,11S,12R,14S)-11-hydroxy-14-methyl-5,9-dimethylidene-4-oxo-3,13-dioxatetracyclo[8.4.0.02,6.012,14]tetradecan-7-yl] (Z)-2-methylbut-2-enoate
|
360.40
|
1.7
|
1
|
6
|
85.36
|
3
|
|
|
[(3aR,4R,6R,7R,9bR)-6-(chloromethyl)-6,7-dihydroxy-9-methyl-3-methylidene-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] (E)-4-hydroxy-2-methylbut-2-enoate
|
412.90
|
0.4
|
3
|
7
|
113.29
|
5
|
|
|
[(3aR,4R,9R,9bS)-6-formyl-9-hydroxy-9-methyl-3-methylidene-2-oxo-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-4-yl] (Z)-2-methylbut-2-enoate
|
358.40
|
1.3
|
1
|
6
|
89.9
|
4
|
|
|
[(3aR,4R,9R,9bS)-6-formyl-9-hydroxy-9-methyl-3-methylidene-2-oxo-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-4-yl] 2,3-dimethyloxirane-2-carboxylate
|
374.40
|
0.5
|
1
|
7
|
102.43
|
4
|
|
|
(3aS,4R,6Z,8S,10Z,11aR)-4-(2,3-dihydroxy-2-methylbutanoyl)-8-hydroxy-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one
|
364.40
|
0.4
|
3
|
6
|
104.06
|
3
|
|
|
[(E)-4-[(3aS,4R,6Z,8R,9R,10Z,11aR)-8,9-dihydroxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl]-3-methyl-4-oxobut-2-enyl] acetate
|
404.50
|
0.5
|
2
|
7
|
110.13
|
5
|
|
|
[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-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]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
1267.40
|
-2.5
|
17
|
28
|
453.28
|
16
|
|
|
(3E)-6-hydroxy-3-[(4-hydroxyphenyl)-methoxymethylidene]-7-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1-benzofuran-2-one
|
446.40
|
0.1
|
6
|
10
|
166.14
|
4
|
|
|
1,2-bis[2,4-dihydroxy-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]ethane-1,2-dione
|
598.50
|
-2.3
|
12
|
16
|
295.36
|
7
|
|
|
2-[3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]furo[2,3-h]chromen-4-one
|
440.40
|
1.4
|
4
|
9
|
142.73
|
4
|
|
|
6-methoxy-2-[3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]furo[2,3-h]chromen-4-one
|
470.40
|
1.4
|
4
|
10
|
151.96
|
5
|
|
|
3-methoxy-2-phenyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyfuro[2,3-h]chromen-4-one
|
470.40
|
1.6
|
4
|
10
|
151.96
|
5
|
|
|
2-(1,3-benzodioxol-5-yl)-3-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
|
474.40
|
1
|
4
|
11
|
157.28
|
5
|
|
|
2-hydroxy-3,10-dimethoxy-6,7-dihydro-5H-isoquinolino[2,1-b]isoquinolin-7-ium-11-one
|
324.30
|
2.1
|
2
|
4
|
60.2
|
2
|
|
|
2-Hydroxy-3,10-dimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-11-one
|
323.30
|
2.1
|
1
|
5
|
60.69
|
2
|
|
|
(6aS)-1,2,3,9,10-pentamethoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ium
|
400.50
|
3.4
|
0
|
5
|
46.15
|
5
|
|
|
(1R)-5,6,7-trimethoxy-1-[(4-methoxyphenyl)methyl]-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium
|
372.50
|
3.7
|
0
|
4
|
36.92
|
6
|
|
|
(12S)-17,18,19-trimethoxy-13,13-dimethyl-5,7-dioxa-13-azoniapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(19),2,4(8),9,16(20),17-hexaene
|
384.40
|
3.2
|
0
|
5
|
46.15
|
3
|
|
|
[(2R,3S,4S,5R,6S)-6-(4-acetyl-2-methoxyphenoxy)-3,4,5-trihydroxyoxan-2-yl]methyl 3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoate
|
640.60
|
-1.1
|
7
|
16
|
240.36
|
12
|
|
|
(2S,3R,4S,5S,6R)-2-[4-[(1R)-1-hydroxyethyl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
330.33
|
-1.5
|
5
|
8
|
128.84
|
5
|
|
|
[(2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
|
654.60
|
-0.7
|
9
|
16
|
254.52
|
13
|
|
|
[(2R,3R,4S,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
|
654.60
|
-0.7
|
9
|
16
|
254.52
|
13
|
|
|
(2R,4aR,6aR,6aS,6bR,8aR,9R,10R,11R,12aR,14bS)-10,11-dihydroxy-9-(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
|
666.80
|
2.7
|
8
|
11
|
197.37
|
6
|
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