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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[33-(5-Acetyloxy-3,4-dihydroxy-6-methyloxan-2-yl)oxy-6,25,26,32-tetrahydroxy-5,24,31-trimethyl-10-oxo-20-propyl-2,4,9,21,23,28,30-heptaoxatetracyclo[27.3.1.03,8.022,27]tritriacontan-7-yl] 3-hydroxy-2-methylbutanoate
|
953.10
|
1.9
|
7
|
21
|
294.35
|
10
|
|
|
[33-(5-Acetyloxy-3,4-dihydroxy-6-methyloxan-2-yl)oxy-4,5,24,31,32-pentahydroxy-6,25-dimethyl-20-oxo-10-propyl-2,7,9,21,26,28,34-heptaoxatetracyclo[28.3.1.03,8.022,27]tetratriacontan-23-yl] 3-hydroxy-2-methylbutanoate
|
969.10
|
0.9
|
8
|
22
|
314.58
|
10
|
|
|
[6-[6-[[10-Hexyl-4,5,23-trihydroxy-24-(hydroxymethyl)-6-methyl-20-oxo-2,7,9,21,25-pentaoxatricyclo[20.3.1.03,8]hexacosan-26-yl]oxy]-4-hydroxy-2-methyl-5-(2-methylbut-2-enoyloxy)oxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl] 2-methylbut-2-enoate
|
1033.20
|
5.2
|
7
|
21
|
294.35
|
16
|
|
|
[6-[6-[[10-Butyl-4,5,23-trihydroxy-24-(hydroxymethyl)-6-methyl-20-oxo-2,7,9,21,25-pentaoxatricyclo[20.3.1.03,8]hexacosan-26-yl]oxy]-4-hydroxy-2-methyl-5-(2-methylbut-2-enoyloxy)oxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl] 2-methylbut-2-enoate
|
1005.10
|
4.1
|
7
|
21
|
294.35
|
14
|
|
|
11-[3-[4,5-Dihydroxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxytetradecanoic acid
|
844.90
|
-1.3
|
11
|
20
|
313.44
|
21
|
|
|
11-[3-[3-[3,4-Dihydroxy-6-methyl-5-(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]oxypentadecanoic acid
|
859.00
|
-0.2
|
11
|
20
|
313.44
|
22
|
|
|
[(2S,3R,4R,5R,6S)-2-[(2S,3S,4R,5R,6S)-3-[(2S,3R,4S,5S,6S)-3,4-dihydroxy-6-methyl-5-(2-methylpropanoyloxy)oxan-2-yl]oxy-5-dodecanoyloxy-2-methyl-6-[[(1R,3S,5S,6R,7R,8R,20S,22R,24R,25R,26S)-7,25,26-trihydroxy-5,24-dimethyl-10-oxo-20-pentyl-2,4,9,21,23-pentaoxatricyclo[20.4.0.03,8]hexacosan-6-yl]oxy]oxan-4-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl] (11S)-11-[(2R,3R,4S,5R,6R)-3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4R,5S,6S)-5-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-(2-methylpropanoyloxy)oxan-2-yl]oxy-3-dodecanoyloxy-6-methyl-4-[(1R,2R,3R,4S,5R)-2,3,4-trihydroxy-5-methylcyclohexyl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxyhexadecanoate
|
2473.00
|
16.5
|
16
|
47
|
656.85
|
66
|
|
|
[(2S,3R,4S,5R,6S)-6-[(2S,3S,4R,5R,6S)-3-[(2S,3R,4S,5S,6S)-3,4-dihydroxy-6-methyl-5-[(2R)-2-methylbutanoyl]oxyoxan-2-yl]oxy-5-dodecanoyloxy-2-methyl-6-[[(1S,3R,4S,5R,6R,8R,10S,22S,23S,24S,26R)-4,5,26-trihydroxy-6,24-dimethyl-20-oxo-10-pentyl-2,7,9,21,25-pentaoxatricyclo[20.3.1.03,8]hexacosan-23-yl]oxy]oxan-4-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl] (11S)-11-[(2R,3R,4S,5R,6R)-3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4R,5S,6S)-5-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2R)-2-methylbutanoyl]oxyoxan-2-yl]oxy-3-dodecanoyloxy-6-methyl-4-[(1R,2R,3R,4S,5R)-2,3,4-trihydroxy-5-methylcyclohexyl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxyhexadecanoate
|
2501.10
|
17.2
|
16
|
47
|
656.85
|
68
|
|
|
[(2S,3R,4R,5R,6S)-2-[(2S,3S,4R,5R,6S)-3-[(2S,3R,4S,5S,6S)-3,4-dihydroxy-6-methyl-5-(2-methylbutanoyloxy)oxan-2-yl]oxy-5-dodecanoyloxy-2-methyl-6-[[(1R,3S,5S,6R,7R,8R,20S,22R,24R,25R,26S)-7,25,26-trihydroxy-5,24-dimethyl-10-oxo-20-pentyl-2,4,9,21,23-pentaoxatricyclo[20.4.0.03,8]hexacosan-6-yl]oxy]oxan-4-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl] (11S)-11-[(2R,3R,4S,5R,6R)-3-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-5-[(2S,3R,4S,5S,6S)-3-hydroxy-5-[(2S,3R,4S,5S,6S)-3-hydroxy-6-methyl-5-(2-methylbutanoyloxy)-4-[(E)-3-phenylprop-2-enoyl]oxyoxan-2-yl]oxy-6-methyl-4-[(1R,2R,3R,4S,5R)-2,3,4-trihydroxy-5-methylcyclohexyl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxyhexadecanoate
|
2448.90
|
14.2
|
16
|
47
|
656.85
|
60
|
|
|
(3R,11R)-11-[(2R,3R,4S,5S,6R)-3-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4S,5S,6S)-4-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-6-methyl-5-[(2S,3R,4S,5R,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]oxy-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]heptadecanoic acid
|
1341.40
|
-3.8
|
19
|
33
|
521.43
|
30
|
|
|
[(2S)-1-[(1S,2S)-2-[(S)-hydroxy-[(2R)-6-oxo-2,3-dihydropyran-2-yl]methyl]cyclopropyl]-1-oxopropan-2-yl] (Z)-3-(3-hydroxyphenyl)prop-2-enoate
|
386.40
|
2.3
|
2
|
7
|
110.13
|
8
|
|
|
11-[3-[2,3-Dihydroxy-4-[5-hydroxy-6-methyl-3,4-bis[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy-5-methyloxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxytetradecanoic acid
|
975.10
|
-1.1
|
12
|
23
|
352.13
|
22
|
|
|
methyl 11-[(2R,3R,4S,5S,6R)-3-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4S,5R,6S)-4-[[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methyl]-3-hydroxy-6-methyl-5-[(2S,3R,4S,5R,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]oxytetradecanoate
|
1165.30
|
-2.5
|
15
|
28
|
431.28
|
27
|
|
|
11-[(2R,3R,4S,5S,6R)-3-[(1R,2R,3S,4R,5S)-2-[(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-3-hydroxy-5-(hydroxymethyl)-4-methylcyclohexyl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxyhexadecanoic acid
|
869.00
|
1.8
|
10
|
18
|
283.98
|
23
|
|
|
[2-Methyl-6-(13-oxotetradecyl)piperidin-3-yl] 3-(4-hydroxyphenyl)prop-2-enoate
|
471.70
|
7.5
|
2
|
5
|
75.63
|
17
|
|
|
[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[[(1S,3R,6S,7S,8S,11S,12S,15R,16R)-7,12,16-trimethyl-15-[(2R)-6-methyl-5-methylideneheptan-2-yl]-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]oxan-2-yl]methyl acetate
|
757.00
|
10.1
|
0
|
10
|
123.66
|
16
|
|
|
[(2R,3R)-4-acetyloxy-3-[(4-acetyloxy-3-methoxyphenyl)methyl]-2-[(3,4-dimethoxyphenyl)methyl]butyl] acetate
|
502.60
|
4.1
|
0
|
9
|
106.59
|
16
|
|
|
methyl 2-[(1R,2S,5R,6R,13S,14R,16S)-6-(furan-3-yl)-1,5,15,15-tetramethyl-14-[(E)-3-methyl-2-oxopent-3-enoxy]-8,17-dioxo-7-oxatetracyclo[11.3.1.02,11.05,10]heptadec-10-en-16-yl]acetate
|
566.70
|
3.7
|
0
|
8
|
109.11
|
8
|
|
|
7,7,12,16-Tetramethyl-15-(6-methyl-5-methylideneheptan-2-yl)pentacyclo[9.7.0.01,3.03,8.012,16]octadec-8-en-6-ol
|
438.70
|
9.5
|
1
|
1
|
20.23
|
5
|
|
|
(1S,3S,6S,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-6-methyl-5-methylideneheptan-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadec-8-en-6-ol
|
438.70
|
9.5
|
1
|
1
|
20.23
|
5
|
|
|
[(1R,8S)-3-acetyloxy-11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2,4,6-trien-4-yl] acetate
|
400.50
|
4.9
|
0
|
5
|
61.83
|
5
|
|
|
10-Hydroxy-10-(2-oxohexyl)phenanthren-9-one
|
308.40
|
3.8
|
1
|
3
|
54.37
|
5
|
|
|
(3S,5R,9R,10R,13S,14S,17S)-17-[(1S)-1-[(3aS,6aS)-2,2,4,4-tetramethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]ethyl]-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
|
514.80
|
7.3
|
1
|
4
|
47.92
|
2
|
|
|
6,7-dimethoxy-8',8'-dimethylspiro[2H-chromene-3,2'-pyrano[2,3-h][1,3]benzodioxine]-4,4'-dione
|
424.40
|
3.6
|
0
|
8
|
89.52
|
2
|
|
|
6,7-dimethoxy-7',7'-dimethylspiro[2H-chromene-3,2'-furo[2,3-f]chromene]-3',4-dione
|
408.40
|
3.6
|
0
|
7
|
80.29
|
2
|
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