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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[(2S)-3-hydroxy-2-octadeca-6,9,12-trienoyloxypropyl] octadecanoate
|
619.00
|
13.9
|
1
|
5
|
72.83
|
35
|
|
|
[(2S)-1-hexadecanoyloxy-3-hydroxypropan-2-yl] docos-13-enoate
|
651.10
|
16.4
|
1
|
5
|
72.83
|
39
|
|
|
(1R,2R,20R,35R,37S,43R,44S,49R,50S)-7,8,9,12,13,14,25,26,27,30,31,32,35,44,47-pentadecahydroxy-43-(3,4,5-trihydroxyphenyl)-3,18,21,38,42,51,54-heptaoxadodecacyclo[27.21.3.334,50.02,20.05,10.011,16.023,28.033,53.037,49.039,48.041,46.037,56]hexapentaconta-5,7,9,11,13,15,23,25,27,29(53),30,32,34(56),39(48),40,46-hexadecaene-4,17,22,36,52,55-hexone
|
1192.90
|
1.1
|
18
|
31
|
531.17
|
1
|
|
|
[(2S)-1-hexadecanoyloxy-3-hydroxypropan-2-yl] icos-11-enoate
|
623.00
|
15.3
|
1
|
5
|
72.83
|
37
|
|
|
[(2S)-3-hydroxy-2-octadeca-9,12,15-trienoyloxypropyl] octadec-11-enoate
|
617.00
|
13
|
1
|
5
|
72.83
|
34
|
|
|
[(2S)-1-hydroxy-3-octadec-11-enoyloxypropan-2-yl] icosanoate
|
651.10
|
16.4
|
1
|
5
|
72.83
|
39
|
|
|
[(2S)-3-hydroxy-2-octadeca-9,12-dienoyloxypropyl] octadec-11-enoate
|
619.00
|
13.7
|
1
|
5
|
72.83
|
35
|
|
|
[(2S)-3-hydroxy-2-octadeca-6,9,12-trienoyloxypropyl] octadec-11-enoate
|
617.00
|
13
|
1
|
5
|
72.83
|
34
|
|
|
[(2S)-1-hydroxy-3-octadec-11-enoyloxypropan-2-yl] octadecanoate
|
623.00
|
15.3
|
1
|
5
|
72.83
|
37
|
|
|
(2S)-2-hydroxy-2-(2-methylsulfanylethyl)butanedioic acid
|
208.23
|
-0.5
|
3
|
6
|
120.13
|
6
|
|
|
(-)-Pescaprein XI
|
1353.60
|
9.8
|
7
|
25
|
339.11
|
28
|
|
|
(-)-Pescaprein XVII
|
1381.70
|
10.9
|
7
|
25
|
339.11
|
30
|
|
|
(-)-Pescaprein XVI
|
1381.70
|
10.9
|
7
|
25
|
339.11
|
30
|
|
|
(4aR,5S,8aR)-5-[(7E,11R)-11,12-dihydroxy-4,8,12-trimethyltrideca-3,7-dienyl]-1,1,4a,6-tetramethyl-4,5,8,8a-tetrahydro-3H-naphthalen-2-one
|
458.70
|
6.7
|
2
|
3
|
57.53
|
10
|
|
|
2-[3-[(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-6-yl]-4-methoxyphenyl]-5-hydroxy-7-methoxychromen-4-one
|
568.50
|
5.4
|
4
|
10
|
155.89
|
5
|
|
|
[(2S,3R,4S,5R,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,5R,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,5R,6R)-6-[[(2S,3R,4R,5R)-4,5-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxymethyl]-4,5-dihydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-[(2E,6S)-6-[(2S,3R,4R,5S,6R)-5-[(2E,6S)-2,6-dimethyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyocta-2,7-dienoyl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-2-(hydroxymethyl)-6-methylocta-2,7-dienoyl]oxy-5-hydroxy-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
|
2320.50
|
-5.8
|
29
|
54
|
840.94
|
41
|
|
|
[(2R,3R,4S,5R,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,5R,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)-3-[(2E,6S)-6-[(2S,3R,4S,5S,6R)-5-[(2E,6S)-6-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-[(2E,6S)-2-(hydroxymethyl)-6-methyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyocta-2,7-dienoyl]oxy-6-methyloxan-2-yl]oxy-2,6-dimethylocta-2,7-dienoyl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-2-(hydroxymethyl)-6-methylocta-2,7-dienoyl]oxy-10-[(2R,3R,4S,5R,6R)-6-[[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxy-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
|
2500.70
|
-3.9
|
29
|
56
|
867.24
|
48
|
|
|
[(1R,2R,6S,10S,11R,13S,14R,15R)-14-[(4E,6E)-deca-2,4,6-trienoxy]-1-hydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-13-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] 2-methylpropanoate
|
552.70
|
5.2
|
2
|
6
|
93.06
|
11
|
|
|
[(1S,2S,3aS,5S,6E,11S,13S,13aR)-1,3a,11,13-tetraacetyloxy-2,5,8,8-tetramethyl-12-methylidene-4,9-dioxo-3,5,10,11,13,13a-hexahydro-1H-cyclopenta[12]annulen-2-yl] benzoate
|
654.70
|
3.6
|
0
|
12
|
165.64
|
11
|
|
|
(2S)-2-hydroxy-2-(3-methylsulfanylpropyl)butanedioic acid
|
222.26
|
-0.1
|
3
|
6
|
120.13
|
7
|
|
|
[[(2R,3S,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S)-2,4-dihydroxy-3-methyl-3-phosphonooxybutyl] hydrogen phosphate
|
601.29
|
-7.7
|
9
|
17
|
349.54
|
13
|
|
|
2-(3,4-Dihydroxyphenyl)-5-hydroxy-7-methoxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4a,8a-dihydrochromen-4-one
|
464.40
|
-1.7
|
7
|
11
|
186.37
|
4
|
|
|
(3S)-5-[2-[3-[[(2S)-4-[[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-3-hydroxy-3-methyl-5-oxopentanoic acid
|
911.70
|
-6.6
|
11
|
25
|
475.89
|
24
|
|
|
(1R,12R,20S)-15,16-dimethoxy-20-methyl-20-oxido-5,7-dioxa-20-azoniapentacyclo[10.7.1.02,10.04,8.013,18]icosa-2,4(8),9,13,15,17-hexaene
|
355.40
|
2.6
|
0
|
5
|
59.98
|
2
|
|
|
[(2R,3R)-8-[(2R,3R,4S)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyl)oxy-2-(3,4,5-trihydroxyphenyl)-8-[(2R,3S,4R)-3,5,7-trihydroxy-8-[(2R,3S,4R)-3,5,7-trihydroxy-8-[(2R,3R,4R)-5-hydroxy-3-(3,4,5-trihydroxybenzoyl)oxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromen-4-yl]-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
|
2141.70
|
5.1
|
39
|
52
|
932.48
|
21
|
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