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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Obtusenyne
|
331.67
|
5
|
0
|
1
|
9.23
|
3
|
|
|
Brosimacutin E
|
340.40
|
2.6
|
2
|
5
|
75.99
|
2
|
|
|
5,7-Dihydroxy-3',4'-dimethoxy-6,8-dimethylflavone
|
342.30
|
3.7
|
2
|
6
|
89.13
|
3
|
|
|
2(3H)-Furanone, dihydro-3,4-dipiperonyl-, trans-(-)-
|
354.40
|
3.7
|
0
|
6
|
63.22
|
4
|
|
|
Ophiopogonanone D
|
370.40
|
3.2
|
1
|
7
|
91.29
|
4
|
|
|
(2S,3R,4S,5S,6R)-2-[[(1R,3aS,4S,6S,8aR)-1,6-dihydroxy-1,4-dimethyl-2,3,3a,5,6,8a-hexahydroazulen-4-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
374.40
|
-1.3
|
6
|
8
|
139.84
|
3
|
|
|
(1R,4S,8R,10S,11R,12S)-10-hydroxy-7,13,13-trimethyl-4-propan-2-yl-18-oxapentacyclo[9.5.2.01,12.02,9.04,8]octadeca-2(9),6-diene-3,5,17-trione
|
384.50
|
2.3
|
1
|
5
|
80.67
|
1
|
|
|
Stevensine
|
387.03
|
1.4
|
4
|
3
|
99.59
|
1
|
|
|
garcimangosone D
|
392.40
|
0.7
|
6
|
9
|
156.91
|
5
|
|
|
methyl 3-[4-methoxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-benzofuran-5-yl]propanoate
|
412.40
|
0.2
|
4
|
10
|
148.05
|
8
|
|
|
Ppohvzsuyivhkl-uhfffaoysa-
|
438.50
|
6.8
|
2
|
4
|
58.92
|
1
|
|
|
(E)-N-[(1R,2S,4R,6R,7S,10S,11R,16R)-7,11-dimethyl-6-[(1S)-1-(methylamino)ethyl]-15-oxo-5-oxapentacyclo[8.8.0.02,7.04,6.011,16]octadec-13-en-14-yl]-2-methylbut-2-enamide
|
440.60
|
4.3
|
2
|
4
|
70.73
|
4
|
|
|
(2R,3S,4S,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[(2S)-2-hydroxy-2-(4-hydroxyphenyl)ethoxy]oxane-3,4,5-triol
|
448.40
|
-3.3
|
8
|
12
|
198.76
|
8
|
|
|
dimethyl (1S,4aS,5S,6R,7R,7aS)-5,6-dihydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4,7-dicarboxylate
|
450.40
|
-2.7
|
6
|
13
|
201.67
|
7
|
|
|
Myristic Acid
|
228.37
|
5.3
|
1
|
2
|
37.3
|
12
|
|
|
(1S,2R,5S,6S,7R,8S,11R)-11-(2-hydroxypropan-2-yl)-6-methyl-10-oxo-7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9-oxatricyclo[6.2.1.02,6]undecane-5-carboxylic acid
|
460.50
|
-1.2
|
6
|
11
|
183.21
|
5
|
|
|
[(1R,3R,4R,5R,7S,8S,9R,10E,12S,13S,14S)-13-acetyloxy-9-hydroxy-8-methoxy-3,6,6,10,14-pentamethyl-2-oxo-16-oxatetracyclo[10.3.1.01,12.05,7]hexadec-10-en-4-yl] acetate
|
464.50
|
1.6
|
1
|
8
|
111.66
|
5
|
|
|
(2R,3R,4S,5S,6R)-2-[(3R,5R)-7-(3,4-dihydroxyphenyl)-5-hydroxy-1-(4-hydroxyphenyl)heptan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
494.50
|
1.3
|
8
|
10
|
180.3
|
11
|
|
|
Gal(a1-6)Glc(a1-2a)Fruf
|
504.40
|
-5.8
|
11
|
16
|
268.68
|
8
|
|
|
[(1R,3R,4R,5R,7S,8S,9R,10E,12S,13S,14S)-13-acetyloxy-4-hydroxy-8-methoxy-3,6,6,10,14-pentamethyl-2-oxo-16-oxatetracyclo[10.3.1.01,12.05,7]hexadec-10-en-9-yl] (Z)-2-methylbut-2-enoate
|
504.60
|
2.8
|
1
|
8
|
111.66
|
6
|
|
|
1-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphocholine
|
519.70
|
5
|
1
|
7
|
114.93
|
24
|
|
|
(2R,3R,4S,5S,6R)-2-[(3R,5R)-7-(3,4-dihydroxyphenyl)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)heptan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
524.60
|
1.3
|
8
|
11
|
189.53
|
12
|
|
|
[(1S,2S,4S,7R,8R,9S,10S,12S,13S,16R)-4,8-diacetyloxy-7,12,13-trihydroxy-2-(2-hydroxypropan-2-yl)-5,9-dimethyl-15-oxatetracyclo[7.6.1.02,6.013,16]hexadec-5-en-10-yl] acetate
|
526.60
|
-1.4
|
4
|
11
|
169.05
|
7
|
|
|
acinospesigenin-B
|
530.70
|
4.4
|
3
|
7
|
121.13
|
4
|
|
|
Hexadecane
|
226.44
|
8.3
|
0
|
0
|
0
|
13
|
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