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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
8-[(2R,3S)-3-hept-6-enyloxiran-2-yl]oct-1-en-4,6-diyn-3-yl acetate
|
300.40
|
4.5
|
0
|
3
|
38.83
|
11
|
|
|
8-[(2R,3S)-3-heptyloxiran-2-yl]octa-4,6-diyn-3-yl acetate
|
304.40
|
5.1
|
0
|
3
|
38.83
|
11
|
|
|
8-[(2R,3S)-3-hept-6-enyloxiran-2-yl]octa-4,6-diyn-3-yl acetate
|
302.40
|
4.6
|
0
|
3
|
38.83
|
11
|
|
|
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(1S,2S,4S,5S,6R,10S)-5-hydroxy-2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl]oxy]oxan-2-yl]methyl 4-hydroxybenzoate
|
482.40
|
-1.9
|
6
|
12
|
187.9
|
7
|
|
|
[(1S,4aR,5S,6R,7S,7aS)-6,7-dihydroxy-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-yl] 4-hydroxybenzoate
|
500.40
|
-1.8
|
8
|
13
|
215.83
|
7
|
|
|
[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(1S,2R,5R)-2-hydroxy-5-(2-hydroxyethyl)-3,4-bis(hydroxymethyl)cyclopent-3-en-1-yl]oxyoxan-2-yl]methyl 4-hydroxybenzoate
|
486.50
|
-3.3
|
8
|
12
|
206.6
|
10
|
|
|
(1R,2S,4S,7S,8R)-3,3-dimethyl-12-methylidenespiro[10-oxatricyclo[6.4.0.02,4]dodecane-7,2'-oxirane]-9-one
|
248.32
|
1.7
|
0
|
3
|
38.83
|
0
|
|
|
(1R,2S,4S,7S,8R,9S)-3,3-dimethyl-12-methylidenespiro[10-oxatricyclo[6.4.0.02,4]dodecane-7,2'-oxirane]-9-ol
|
250.33
|
1.4
|
1
|
3
|
41.99
|
0
|
|
|
(1S,2S,7R,9R,11S,13R,14S,15R,16S,17R)-14,16-dihydroxy-4,15-dimethoxy-2,14,17-trimethyl-11-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-4-en-3-one
|
558.60
|
-0.8
|
6
|
12
|
184.6
|
5
|
|
|
[(1S,2S,4S,7R,9R,11S,13S,14R,15S,16S,17S)-4-acetyloxy-15-methoxy-2,14,17-trimethyl-3-oxo-11-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-10-oxatetracyclo[7.7.1.02,7.013,17]heptadecan-16-yl] 1,3-benzodioxole-5-carboxylate
|
720.80
|
2.2
|
4
|
15
|
205.97
|
9
|
|
|
[(1S,2S,4S,7R,9R,11S,13S,14R,15S,16S,17S)-4,15-dimethoxy-2,14,17-trimethyl-3-oxo-11-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-10-oxatetracyclo[7.7.1.02,7.013,17]heptadecan-16-yl] 1,3-benzodioxole-5-carboxylate
|
692.70
|
2.2
|
4
|
14
|
188.9
|
8
|
|
|
[(1S,2S,4S,7R,9R,11S,13R,14S,15R,16S,17R)-15-acetyloxy-4,14-dihydroxy-2,14,17-trimethyl-3-oxo-11-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-10-oxatetracyclo[7.7.1.02,7.013,17]heptadecan-16-yl] 1,3-benzodioxole-5-carboxylate
|
722.70
|
0.5
|
6
|
16
|
237.2
|
8
|
|
|
(3S)-4-acetyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-8-one
|
374.34
|
-2.1
|
4
|
10
|
151.98
|
4
|
|
|
(1S,3R,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-6-methyl-4-oxohept-5-en-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-one
|
438.70
|
8.1
|
0
|
2
|
34.14
|
4
|
|
|
(1S,4aS,7aR)-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,7a-dihydrocyclopenta[c]pyran-5-one
|
506.50
|
-3.9
|
8
|
14
|
225.06
|
6
|
|
|
(3R,4S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-[(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]oxycarbonyl-3-hydroxy-4,6a,6b,11,12,14b-hexamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picene-4-carboxylic acid
|
957.10
|
1
|
11
|
19
|
312.05
|
10
|
|
|
(6R)-2-methyl-6-[(1R,3R,6S,8R,11S,12S,14S,15R,16R,18R)-6,14,18-trihydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]heptan-3-one
|
474.70
|
5.5
|
3
|
4
|
77.76
|
5
|
|
|
(6R)-6-[(1R,3R,6S,8R,11S,12S,14S,15R,16R,18R)-14,18-dihydroxy-7,7,12,16-tetramethyl-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]-2-methylheptan-3-one
|
636.90
|
3.9
|
6
|
9
|
156.91
|
8
|
|
|
(6R)-6-[(1R,3R,6S,8R,11S,12S,14S,15R,16R,18R)-6,18-dihydroxy-7,7,12,16-tetramethyl-14-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]-2-methylheptan-3-one
|
606.80
|
3.9
|
5
|
8
|
136.68
|
7
|
|
|
(6R)-6-[(1R,3R,6S,8R,11S,12S,14S,15R,16R,18R)-18-hydroxy-7,7,12,16-tetramethyl-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-14-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]-2-methylheptan-3-one
|
769.00
|
2.3
|
8
|
13
|
215.83
|
10
|
|
|
(6R)-6-[(1R,3R,6S,8R,11S,12S,14S,15R,16R,18R)-6-[(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-14,18-dihydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]-2-methylheptan-3-one
|
799.00
|
2.3
|
9
|
14
|
236.06
|
11
|
|
|
(6R)-6-[(1R,3R,6S,8R,11S,12S,14S,15R,16R,18R)-6-[(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-18-hydroxy-7,7,12,16-tetramethyl-14-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]-2-methylheptan-3-one
|
931.10
|
0.7
|
11
|
18
|
294.98
|
13
|
|
|
(6R)-6-[(1R,3R,6S,8R,11S,12S,14S,15R,16R,18R)-6-[(2R,3R,4S,5R,6R)-4-[(2S,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-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-14,18-dihydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]-2-methylheptan-3-one
|
961.10
|
0.7
|
12
|
19
|
315.21
|
14
|
|
|
(3S,5S,8R,9S,10S,13R,14R,17S)-4,4,8,14-tetramethyl-17-[(2R)-6-methyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
|
783.00
|
4
|
8
|
13
|
215.83
|
11
|
|
|
(3S,5S,8R,9S,10S,13R,14R,17S)-3-[(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-4,4,8,14-tetramethyl-17-[(2R)-6-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
|
945.10
|
2.4
|
11
|
18
|
294.98
|
14
|
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