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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-Acetyloxy-15-[(2R,3S)-3-(butanoylamino)-2-hydroxy-3-phenylpropanoyl]oxy-1,9,12-trihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
|
777.90
|
1.1
|
5
|
13
|
215.22
|
13
|
|
|
[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-Acetyloxy-1,9,12-trihydroxy-15-[(2R,3S)-2-hydroxy-3-phenyl-3-(propanoylamino)propanoyl]oxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
|
763.80
|
0.7
|
5
|
13
|
215.22
|
12
|
|
|
(5S,8S,8aS)-3,8-dimethyl-5-prop-1-en-2-yl-1,2,4,5,6,7,8,8a-octahydroazulene
|
204.35
|
4.6
|
0
|
0
|
0
|
1
|
|
|
Lycopene 5,6-epoxide
|
552.90
|
14.1
|
0
|
1
|
12.53
|
16
|
|
|
2,12-dimethoxy-2,3,5,6,8,9-hexahydro-1H-indolo[7a,1-a]isoquinoline
|
285.40
|
2.3
|
0
|
3
|
21.7
|
2
|
|
|
8-c-glucosyl-(2'-O-cinnamoyl)-7-O-methylaloediol a
|
572.60
|
0.6
|
6
|
12
|
196.35
|
9
|
|
|
Hunterioside
|
678.70
|
-4.2
|
10
|
15
|
252.88
|
10
|
|
|
(2S,3R,4R,5R,6S)-2-[(2R,3S,4S,5R,6R)-4-hydroxy-2-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(1R,2S,4S,6R,7S,8R,9S,12S,13S,16S,18R)-7,9,13-trimethyl-5'-methylidenespiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
885.00
|
1
|
9
|
17
|
255.91
|
8
|
|
|
Sesaminone
|
370.40
|
1.9
|
1
|
7
|
83.45
|
4
|
|
|
(-)-Pinene
|
136.23
|
2.6
|
0
|
0
|
0
|
0
|
|
|
[D-Asp3, (E)-Dhb7]microcystin-Hty
|
1045.20
|
2.1
|
12
|
14
|
372.16
|
16
|
|
|
Burnamine-17-O-3'',4'',5''-trimethoxybenzoate
|
562.60
|
3.3
|
1
|
10
|
104.79
|
9
|
|
|
3',5'-Dihydroxy-2',4',6'-trimethoxydihydrochalcone
|
332.30
|
2.7
|
2
|
6
|
85.22
|
7
|
|
|
(2R)-5-(hydroxymethyl)-2-[(1R)-2-hydroxy-1-[(5R,6R,8S,9S,10R,12R,13S,14S,17R)-5,6,12-trihydroxy-10,13-dimethyl-1-oxo-6,7,8,9,11,12,14,15,16,17-decahydro-4H-cyclopenta[a]phenanthren-17-yl]ethyl]-4-methyl-2,3-dihydropyran-6-one
|
504.60
|
1.4
|
5
|
8
|
144.52
|
4
|
|
|
Unanisoflavan
|
370.40
|
4.9
|
2
|
5
|
68.15
|
5
|
|
|
Androstan-3-one, 6,17-dihydroxy-, (5alpha,6alpha,17beta)-
|
306.40
|
2.3
|
2
|
3
|
57.53
|
0
|
|
|
(2S,3R,4R,5S)-2-[[(1R,2S,3S)-7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]oxane-3,4,5-triol
|
552.60
|
0.5
|
6
|
12
|
176.76
|
9
|
|
|
(2R,3S,4S,5S)-2-[[(1S,2R,3R)-7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]oxane-3,4,5-triol
|
552.60
|
0.5
|
6
|
12
|
176.76
|
9
|
|
|
(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a,9-diol
|
428.70
|
7.7
|
2
|
2
|
40.46
|
1
|
|
|
3'-Methoxypongapin
|
366.30
|
3.5
|
0
|
7
|
80.27
|
3
|
|
|
Erysubin A
|
352.30
|
3.2
|
3
|
6
|
104.04
|
2
|
|
|
H-Val-D-gGlu-D-Arg-Gly-OH
|
459.50
|
-4.9
|
8
|
9
|
252.32
|
15
|
|
|
(3S,5S)-[6]-Gingerdiol
|
296.40
|
3
|
3
|
4
|
69.92
|
10
|
|
|
2H-1-Benzopyran-6-ol, 2,8-dimethyl-2-(4,8,12-trimethyltridecyl)-
|
400.60
|
9.9
|
1
|
2
|
29.46
|
12
|
|
|
Hentriacontanal
|
450.80
|
15.2
|
0
|
1
|
17.07
|
29
|
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