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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[(2S,3R,4S,5R,6S)-4,5-dihydroxy-6-[[(1S,2S,4S,5S,6R,10S)-2-(hydroxymethyl)-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl]oxy]-2-methyloxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
|
684.60
|
-2
|
8
|
17
|
256.05
|
11
|
|
|
8-Hentriacontanol
|
452.80
|
15.1
|
1
|
1
|
20.23
|
28
|
|
|
(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,15R,16R,18R,19R)-5',7,9,13-tetramethyl-15-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16,18,19-triol
|
626.80
|
1.5
|
7
|
11
|
178.53
|
3
|
|
|
[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,15R,16R,18R,19R)-18,19-dihydroxy-5',7,9,13-tetramethyl-15-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl] benzoate
|
730.90
|
3.8
|
6
|
12
|
184.6
|
6
|
|
|
(2E,4E)-5-[(1R,2R)-1,2-dihydroxy-2,6,6-trimethylcyclohexyl]-3-methylpenta-2,4-dienoic acid
|
268.35
|
2.1
|
3
|
4
|
77.76
|
3
|
|
|
[(1S,2R,4R,6S,8R,11S)-13-(acetyloxymethyl)-4-methyl-9-methylidene-14-oxo-3,7,15-trioxatetracyclo[10.3.0.02,4.06,8]pentadec-12-en-11-yl] 2-(hydroxymethyl)prop-2-enoate
|
420.40
|
-0.7
|
1
|
9
|
124.19
|
7
|
|
|
(1S,4aR,5S,8aR)-5-(5-hydroxy-4-oxopentyl)-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
|
322.40
|
3.2
|
2
|
4
|
74.6
|
6
|
|
|
16-Hydroxytotarol
|
302.50
|
5.3
|
2
|
2
|
40.46
|
2
|
|
|
Totaral
|
300.40
|
5.2
|
1
|
2
|
37.3
|
2
|
|
|
4beta-Carboxy-19-nortotarol
|
316.40
|
5.2
|
2
|
3
|
57.53
|
2
|
|
|
Tinophylloloside
|
536.60
|
1.1
|
4
|
11
|
165.12
|
6
|
|
|
[(3S,5aS,5bR,7aS,8S,11aS,11bR,13S,13aS)-8-ethyl-3,5b,8,11a,13a-pentamethyl-1-oxo-4,5,5a,6,7,7a,9,10,11,11b,12,13-dodecahydro-3H-phenanthro[2,1-e][2]benzofuran-13-yl] acetate
|
456.70
|
7.5
|
0
|
4
|
52.6
|
3
|
|
|
(-)-Kanshone A
|
236.35
|
2.8
|
1
|
2
|
37.3
|
1
|
|
|
7'-Hydroxy ABA
|
280.32
|
0.9
|
3
|
5
|
94.83
|
4
|
|
|
Bicyclosesquiphellandrene
|
204.35
|
4.7
|
0
|
0
|
0
|
1
|
|
|
(1R,4R)-4,7-dimethyl-1-propan-2-yl-1,2,3,4,5,6-hexahydronaphthalene
|
204.35
|
4
|
0
|
0
|
0
|
1
|
|
|
(1S,4R)-1-Isopropyl-4,7-dimethyl-1,2,3,4,5,6-hexahydronaphthalene
|
204.35
|
4
|
0
|
0
|
0
|
1
|
|
|
Catharanthamine
|
809.00
|
3.7
|
2
|
12
|
143.1
|
10
|
|
|
[(2R)-1-[[(2S)-3-[[(2R)-2,3-di(hexadecanoyloxy)propoxy]-hydroxyphosphoryl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-3-hexadecanoyloxypropan-2-yl] docosanoate
|
1438.00
|
29.4
|
3
|
17
|
256.57
|
84
|
|
|
[(2R)-1-[[(2S)-3-[[(2R)-2,3-di(hexadecanoyloxy)propoxy]-hydroxyphosphoryl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-3-octadecanoyloxypropan-2-yl] docosanoate
|
1466.10
|
30.5
|
3
|
17
|
256.57
|
86
|
|
|
Perforin A
|
672.70
|
2.7
|
0
|
14
|
183.47
|
9
|
|
|
Sabine
|
495.60
|
-0.4
|
7
|
8
|
144.85
|
0
|
|
|
1,3-Benzodioxole-5-carboxylic acid, 6-(2-(dimethylamino)ethyl)-
|
237.25
|
-0.7
|
1
|
5
|
59
|
4
|
|
|
3,3-Dimethoxy-1-phenylpropane-1,2-dione
|
208.21
|
1.1
|
0
|
4
|
52.6
|
5
|
|
|
(2R,3R)-3-hydroxy-5,7-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one
|
300.30
|
2.3
|
1
|
5
|
64.99
|
3
|
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