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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
3-[[5-[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy-3,4-dihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid
|
666.50
|
-1
|
9
|
18
|
292.57
|
11
|
|
|
3-[[(2R,3S,4S,5R,6S)-3,4-dihydroxy-6-[[(2S)-5-hydroxy-4-oxo-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2,3-dihydrochromen-7-yl]oxy]-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methoxy]-3-oxopropanoic acid
|
828.70
|
-2.6
|
11
|
22
|
347.58
|
13
|
|
|
46-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-7,8,9,12,13,14,25,26,27,30,31,32,35,36,37-pentadecahydroxy-15-(7,8,9,12,13,14,25,26,27,30,31,32,35,36,37-pentadecahydroxy-4,17,22,40,44-pentaoxo-3,18,21,41,43-pentaoxanonacyclo[27.13.3.138,42.02,20.05,10.011,16.023,28.033,45.034,39]hexatetraconta-5,7,9,11,13,15,23,25,27,29(45),30,32,34(39),35,37-pentadecaen-46-yl)-3,18,21,41,43-pentaoxanonacyclo[27.13.3.138,42.02,20.05,10.011,16.023,28.033,45.034,39]hexatetraconta-5,7,9,11(16),12,14,23,25,27,29(45),30,32,34(39),35,37-pentadecaene-4,17,22,40,44-pentone
|
2123.50
|
4.6
|
35
|
56
|
980.28
|
3
|
|
|
[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-4-[(2R,3S,4R)-4-[(2R,3R,4S)-2-(3,4-dihydroxyphenyl)-4-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-chromen-8-yl]-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyl)oxy-3,4-dihydro-2H-chromen-8-yl]-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
|
1799.50
|
2.6
|
31
|
43
|
753.57
|
19
|
|
|
[(1R)-4-[(3E,5E,7E,9E,11E,13E,15E,19E,22S)-22-hydroxy-3,7,12,16,19,20-hexamethyl-17,24-dioxopentacosa-3,5,7,9,11,13,15,19-octaen-1-ynyl]-3,5,5-trimethylcyclohex-3-en-1-yl] acetate
|
640.90
|
9.8
|
1
|
5
|
80.67
|
17
|
|
|
[(2S,3R,4S,5R,6R)-3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4R,5R)-5-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-5-[(2R,9S)-9-hydroxy-16-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyhexadecanoyl]oxy-6-methyloxan-2-yl] (4aR,5R,6aR,6aS,6bR,8aR,9R,10R,11S,12aR,14bS)-5,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
1920.10
|
-3.1
|
24
|
43
|
676.57
|
37
|
|
|
(2R,3R,4R,5R,6S)-2-[[(2R,3S,4R,5R,6R)-3-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-[(2Z,6E,10E,14S)-14-[(2S,3R,4S,5S,6R)-4-hydroxy-6-(hydroxymethyl)-3,5-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxy-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraenoxy]oxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol
|
1409.50
|
-6.1
|
21
|
35
|
554.05
|
30
|
|
|
[(2S)-1-hydroxy-3-icos-11-enoyloxypropan-2-yl] docosanoate
|
707.20
|
18.5
|
1
|
5
|
72.83
|
43
|
|
|
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-octadec-11-enoyloxypropan-2-yl] docosanoate
|
802.20
|
13.7
|
2
|
9
|
144.19
|
46
|
|
|
[(2S)-2,3-dihydroxypropyl] octadec-11-enoate
|
356.50
|
6.5
|
2
|
4
|
66.76
|
19
|
|
|
[(2S)-2-docos-13-enoyloxy-3-hydroxypropyl] docosanoate
|
735.20
|
19.6
|
1
|
5
|
72.83
|
45
|
|
|
[(2S)-1-hydroxy-3-icosanoyloxypropan-2-yl] docos-13-enoate
|
707.20
|
18.5
|
1
|
5
|
72.83
|
43
|
|
|
[(2S)-1-docos-13-enoyloxy-3-hydroxypropan-2-yl] docosanoate
|
735.20
|
19.6
|
1
|
5
|
72.83
|
45
|
|
|
[(2R)-1-hexadecanoyloxy-3-icos-11-enoyloxypropan-2-yl] icosanoate
|
917.50
|
25.3
|
0
|
6
|
78.9
|
57
|
|
|
[(2R)-2-octadeca-9,12-dienoyloxy-3-octadecanoyloxypropyl] icosanoate
|
915.50
|
24.7
|
0
|
6
|
78.9
|
56
|
|
|
[(2R)-2-icos-11-enoyloxy-3-octadecanoyloxypropyl] icos-11-enoate
|
943.60
|
25.5
|
0
|
6
|
78.9
|
58
|
|
|
[(2S)-1-hydroxy-3-octadeca-9,12-dienoyloxypropan-2-yl] icosanoate
|
649.00
|
15.7
|
1
|
5
|
72.83
|
38
|
|
|
(1R,13S,24R)-13-methyl-5,7,17,19-tetraoxa-13-azoniahexacyclo[11.11.0.02,10.04,8.015,23.016,20]tetracosa-2,4(8),9,15(23),16(20),21-hexaen-24-ol
|
354.40
|
1.9
|
1
|
5
|
57.15
|
0
|
|
|
[(2S,3R,4S,5S,6R)-3-[(2S,3R,4S,5S,6S)-5-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] (3S,4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2R,3R,4S,5S,6R)-6-[[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxymethyl]-4,5-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-3-[(2E,6S)-6-hydroxy-2,6-dimethylocta-2,7-dienoyl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
1846.00
|
-4.5
|
24
|
43
|
676.57
|
29
|
|
|
[(3S,4R)-3-acetyloxy-2,2-dimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-4-yl] (Z)-2-methylbut-2-enoate
|
386.40
|
3.1
|
0
|
7
|
92.04
|
5
|
|
|
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-octadeca-9,12-dienoyloxypropan-2-yl] icosanoate
|
772.10
|
11.9
|
2
|
9
|
144.19
|
43
|
|
|
[(2S,3R,4S,5R,6R)-3-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-5-[(2R,9S)-9-hydroxy-16-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyhexadecanoyl]oxy-6-methyloxan-2-yl] (4R,4aR,6aR,6aS,6bR,8aR,9R,10R,11S,12aR,14bS)-4a,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4-carboxylate
|
1788.00
|
-2.2
|
22
|
39
|
617.65
|
34
|
|
|
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-octadeca-9,12-dienoyloxypropan-2-yl] docos-13-enoate
|
798.10
|
12
|
2
|
9
|
144.19
|
44
|
|
|
[(2R)-1-[[[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-3-hexadecanoyloxypropan-2-yl] octadeca-9,12-dienoate
|
978.10
|
9.1
|
5
|
15
|
285.11
|
42
|
|
|
(2R,3S,4S,4aR,6aR,6bS,8aS,11R,12R,12aS,14aR,14bS)-3-[(2R,3R,4S,4aR,6aR,6bS,8aS,11R,12R,12aS,14aR,14bS)-2,3,12-trihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(methoxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carbonyl]oxy-2,12-dihydroxy-4-(hydroxymethyl)-6a,6b,11,12,14b-pentamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid
|
1373.70
|
3.8
|
14
|
24
|
406.88
|
14
|
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