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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[(3S,3aR,4S,6S,6aS,8R,9bS)-6-acetyloxy-3,3a-dihydroxy-3,6,9-trimethyl-8-[(Z)-2-methylbut-2-enoyl]oxy-2-oxo-4,5,6a,7,8,9b-hexahydroazuleno[4,5-b]furan-4-yl] 2-methylbutanoate
|
522.60
|
1.5
|
2
|
10
|
145.66
|
9
|
|
|
rel-(6R,8S)-6,8-Pentatriacontanediol
|
524.90
|
15.9
|
2
|
2
|
40.46
|
32
|
|
|
Betulinic acid sulfate
|
536.80
|
7.8
|
2
|
6
|
109.28
|
4
|
|
|
(5Z)-Lycopene
|
536.90
|
15.6
|
0
|
0
|
0
|
16
|
|
|
[(1R,3R,4R,5R,7S,8R,9R,10E,12S,13S,14S)-4,13-diacetyloxy-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
|
546.60
|
3.4
|
0
|
9
|
117.73
|
8
|
|
|
6-[5-(5,7-Dihydroxy-4-oxo-chromen-2-yl)-2-methoxy-phenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
|
552.50
|
5.4
|
5
|
10
|
170.8
|
4
|
|
|
Cylindrocyclophane F
|
552.80
|
12.8
|
4
|
4
|
80.92
|
6
|
|
|
(2S,3R,4S,5S,6R)-2-[4-[[(3R,4S,5R)-3,4-dihydroxy-5-(4-hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)oxolan-3-yl]methyl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
554.50
|
-1
|
8
|
13
|
207.99
|
9
|
|
|
(2R)-4-[(13R)-13-hydroxy-13-[(2S,5R)-5-[(1S)-1-hydroxytridecyl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one
|
564.90
|
11.8
|
2
|
5
|
75.99
|
26
|
|
|
Floribundone 1
|
566.50
|
5.8
|
4
|
10
|
167.66
|
3
|
|
|
Zincophorin
|
568.80
|
6.7
|
5
|
7
|
127.45
|
17
|
|
|
(E)-3-[(1S,2R,3S,4R)-2-(1,3-benzodioxol-5-yl)-4-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-(piperidine-1-carbonyl)cyclobutyl]-1-piperidin-1-ylprop-2-en-1-one
|
570.70
|
4.9
|
0
|
6
|
77.54
|
6
|
|
|
(1S,6S,7S,14S,15R,16S)-14,16-dihydroxy-4,15-dimethoxy-2,6,14,17-tetramethyl-11-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-4-en-3-one
|
572.60
|
-0.4
|
6
|
12
|
184.6
|
5
|
|
|
(2S)-4-[(11S)-11-hydroxy-11-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-yl]undecyl]-2-methyl-2H-furan-5-one
|
578.90
|
10.1
|
2
|
6
|
85.22
|
23
|
|
|
[(1S,2R,4S,5R,9R,10R,13R,14S,15S,17S)-9-(Furan-3-yl)-1-hydroxy-15-[(1R)-1-hydroxy-2-methoxy-2-oxoethyl]-10,14,16,16-tetramethyl-7,18-dioxo-3,8-dioxapentacyclo[12.3.1.02,4.04,13.05,10]octadecan-17-yl] 2-methylpropanoate
|
588.60
|
2.3
|
2
|
11
|
162.1
|
7
|
|
|
Heraclenol 3'-O-[beta-D-apiofuranosyl-(1-6)-beta-D-glucopyranoside]
|
598.50
|
-1.8
|
7
|
15
|
231.11
|
10
|
|
|
Emestrin
|
598.60
|
-0.1
|
3
|
12
|
205.9
|
1
|
|
|
Goniothalamicin formal
|
608.90
|
9.7
|
2
|
7
|
94.45
|
23
|
|
|
Annomuricin C
|
612.90
|
7.4
|
5
|
8
|
136.68
|
26
|
|
|
(2R,3R,5R)-5-[(E,1R)-1-bromohex-3-enyl]-2-[(E)-pent-2-en-4-ynyl]oxolan-3-ol
|
313.23
|
3.5
|
1
|
2
|
29.46
|
6
|
|
|
(R)-3-(Hexadecyloxy)propane-1,2-diol
|
316.50
|
6.5
|
2
|
3
|
49.69
|
18
|
|
|
(13R,15S,16S,18R)-15-ethyl-11-methyl-17-oxa-1,11-diazapentacyclo[13.4.1.04,12.05,10.016,18]icosa-4(12),5,7,9-tetraen-13-ol
|
326.40
|
2.2
|
1
|
3
|
40.93
|
1
|
|
|
Sinomendine
|
337.40
|
2.8
|
1
|
5
|
60.81
|
3
|
|
|
(8S,9S,10R,13S,14S,17E)-17-(1-methoxyethylidene)-10,13-dimethyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthrene-3,16-dione
|
340.50
|
3.9
|
0
|
3
|
43.37
|
1
|
|
|
4-[(1R,2S)-1-ethoxy-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-2-methoxyphenol
|
348.40
|
2.3
|
3
|
6
|
88.38
|
8
|
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