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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(2S,8S)-5-hydroxy-2-(hydroxymethyl)-8-(4-hydroxyphenyl)-2-methyl-10-(3-methylbut-2-enyl)-7,8-dihydropyrano[3,2-g]chromen-6-one
|
422.50
|
4.5
|
3
|
6
|
96.22
|
4
|
|
|
(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-16-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4'-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-10-one
|
768.90
|
-0.7
|
8
|
15
|
234.29
|
6
|
|
|
(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-16-[(2R,3R,4R,5R,6R)-5-[(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-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4'-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-10-one
|
931.00
|
-2.3
|
11
|
20
|
313.44
|
9
|
|
|
(1R,2R,3S,4S,5R,9S,10S,13R,14R)-2,3,14-trihydroxy-14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
|
368.50
|
1.1
|
5
|
6
|
118.22
|
2
|
|
|
(1S,2S,5R,6S,8R,9R,10R,13R,17S)-6,9-dihydroxy-6-(hydroxymethyl)-1,13-dimethyl-11-oxapentacyclo[8.6.1.15,8.02,8.013,17]octadecan-12-one
|
350.40
|
1.9
|
3
|
5
|
86.99
|
1
|
|
|
(1R,2R,3S,4S,5R,9S,10S,13R,14S)-2,3,14-trihydroxy-14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
|
368.50
|
1.1
|
5
|
6
|
118.22
|
2
|
|
|
3-[(1R,3S,5S,7S,10S,11R,14R,15R,18R)-18-hydroxy-7-[(2R,4R,5S,6R)-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-10,14-dimethyl-2-oxapentacyclo[9.7.0.01,3.05,10.014,18]octadecan-15-yl]-2H-furan-5-one
|
856.90
|
-1.6
|
8
|
18
|
265.28
|
10
|
|
|
[(1S,3R,8S,9S,10R,13S,14S,17S)-17-[(2R,3R)-2,3-dihydroxy-4-[(3R,4R)-4-hydroxy-4-methyl-5-oxooxolan-3-yl]butan-2-yl]-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-1-yl] acetate
|
534.70
|
3
|
4
|
8
|
133.52
|
6
|
|
|
[(1S,3R,8S,9S,10R,13S,14S,17S)-17-[(2R,3R)-2,3-dihydroxy-4-[(3R,4S)-4-hydroxy-4-methyl-5-oxooxolan-3-yl]butan-2-yl]-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-1-yl] acetate
|
534.70
|
3
|
4
|
8
|
133.52
|
6
|
|
|
(1S,2S,4S,5R,10R,11S,13R,14R,15R,18S)-5,13-dihydroxy-10,14-dimethyl-15-[(1S)-1-[(2R)-4-methyl-6-oxo-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2,3-dihydropyran-2-yl]ethyl]-3-oxapentacyclo[9.7.0.02,4.05,10.014,18]octadec-7-en-9-one
|
648.70
|
0.5
|
6
|
12
|
195.74
|
6
|
|
|
(1S,2S,4S,5R,10R,11S,13S,14R,15R,18S)-5,13-dihydroxy-10,14-dimethyl-15-[(1S)-1-[(2R)-4-methyl-6-oxo-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2,3-dihydropyran-2-yl]ethyl]-3-oxapentacyclo[9.7.0.02,4.05,10.014,18]octadec-7-en-9-one
|
648.70
|
0.5
|
6
|
12
|
195.74
|
6
|
|
|
(1S,2S,4S,5R,10R,11S,14R,15R,18S)-5-hydroxy-10,14-dimethyl-15-[(1S)-1-[(2R)-4-methyl-6-oxo-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2,3-dihydropyran-2-yl]ethyl]-3-oxapentacyclo[9.7.0.02,4.05,10.014,18]octadec-7-en-9-one
|
632.70
|
1.8
|
5
|
11
|
175.51
|
6
|
|
|
[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl 2-[(2S,3R,4S,5R,6R)-3,4-diacetyloxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxybenzoate
|
668.60
|
0.3
|
7
|
17
|
257.43
|
14
|
|
|
[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl 2-[(2S,3R,4S,5S,6R)-3-acetyloxy-6-(acetyloxymethyl)-4,5-dihydroxyoxan-2-yl]oxy-6-hydroxybenzoate
|
668.60
|
-0.3
|
7
|
17
|
257.43
|
14
|
|
|
[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl 2-[(2S,3R,4S,5R,6R)-3,4-diacetyloxy-6-(acetyloxymethyl)-5-hydroxyoxan-2-yl]oxy-6-hydroxybenzoate
|
710.60
|
0.3
|
6
|
18
|
263.5
|
16
|
|
|
[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl 2-[(2S,3R,4S,5S,6R)-3-acetyloxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxybenzoate
|
626.60
|
-0.3
|
8
|
16
|
251.36
|
12
|
|
|
[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl 2-hydroxy-6-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxybenzoate
|
752.70
|
0.9
|
5
|
19
|
269.57
|
18
|
|
|
2-hydroxy-6-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxybenzoic acid
|
484.40
|
2.1
|
2
|
13
|
181.19
|
12
|
|
|
2-[(2S,3R,4S,5R,6R)-3,4-diacetyloxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxybenzoic acid
|
400.30
|
0.6
|
4
|
11
|
169.05
|
8
|
|
|
3-[(2S,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
|
740.70
|
-1.7
|
11
|
19
|
308.12
|
8
|
|
|
[(2R,3S,4S,5R,6S)-6-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-3-yl]oxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
|
1064.90
|
-2
|
15
|
27
|
433.8
|
16
|
|
|
(1S,4S,5R,8R,9S,10S,13R,14R,17S,18R,19S,20R)-10-hydroxy-4,5,9,13,19,20-hexamethyl-16-oxo-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosane-9-carbaldehyde
|
470.70
|
6
|
1
|
4
|
63.6
|
1
|
|
|
(1S,4S,5R,8R,9R,13R,14R,17S,18R,19S,20R)-9-(hydroxymethyl)-4,5,9,13,19,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosane-10,16-dione
|
470.70
|
5.8
|
1
|
4
|
63.6
|
1
|
|
|
5-(((2R,3S,4S,5R,6S)-3,4-Dihydroxy-6-(5-hydroxy-2-(4-hydroxyphenyl)-4-oxochroman-7-yl)-5-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)methoxy)-3-hydroxy-3-methyl-5-oxopentanoic Acid
|
708.70
|
-1.8
|
9
|
17
|
279.43
|
11
|
|
|
[(1R,2R,5S,9S,13S,14R,18S)-14-[(R)-acetyloxy(furan-3-yl)methyl]-8-ethoxy-3,16-dihydroxy-13,18-bis(2-methoxy-2-oxoethyl)-2,5,11,14-tetramethyl-7-methylperoxy-10,12,17-trioxahexacyclo[9.5.1.12,5.01,9.03,7.09,13]octadecan-6-yl] (2S,3R)-2,3-dimethyloxirane-2-carboxylate
|
822.80
|
0.5
|
2
|
18
|
226.71
|
17
|
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