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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
ent-Epiafzelechin
|
274.27
|
0.7
|
4
|
5
|
90.15
|
1
|
|
|
5-Glutinen-3-ol
|
426.70
|
9.2
|
1
|
1
|
20.23
|
0
|
|
|
alpha-Glutinol
|
426.70
|
9.2
|
1
|
1
|
20.23
|
0
|
|
|
(2S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
|
290.27
|
0.4
|
5
|
6
|
110.38
|
1
|
|
|
(2R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
|
306.27
|
0
|
6
|
7
|
130.61
|
1
|
|
|
3-Epigitoxigenin
|
390.50
|
1.6
|
3
|
5
|
86.99
|
1
|
|
|
(1R,11S,13S)-11,16,17-trimethoxy-22-methyl-6,8,12-trioxa-22-azapentacyclo[11.9.0.02,10.05,9.014,19]docosa-2(10),3,5(9),14,16,18-hexaene
|
399.40
|
2.5
|
0
|
7
|
58.62
|
3
|
|
|
(1R,11S,13R,15S,18R)-15-methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraene-11,18-diol
|
317.34
|
0.7
|
2
|
6
|
71.39
|
1
|
|
|
7beta-Hydroxysitosterol
|
430.70
|
8.2
|
2
|
2
|
40.46
|
6
|
|
|
Maaliol
|
222.37
|
4.1
|
1
|
1
|
20.23
|
0
|
|
|
(3R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethyl-3-prop-1-en-2-yl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-9-ol
|
426.70
|
9.9
|
1
|
1
|
20.23
|
1
|
|
|
Papaverrubine B
|
385.40
|
2.1
|
1
|
7
|
67.41
|
3
|
|
|
(1R,11S,13S)-11,16,17-trimethoxy-6,8,12-trioxa-22-azapentacyclo[11.9.0.02,10.05,9.014,19]docosa-2(10),3,5(9),14,16,18-hexaene
|
385.40
|
2.1
|
1
|
7
|
67.41
|
3
|
|
|
(-)-Pinoresinol
|
358.40
|
2.3
|
2
|
6
|
77.38
|
4
|
|
|
4-[(3R,3aR,6R,6aR)-6-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxyphenol
|
358.40
|
2.3
|
2
|
6
|
77.38
|
4
|
|
|
(-)-Epipinoresinol
|
358.40
|
2.3
|
2
|
6
|
77.38
|
4
|
|
|
CID 12309641
|
371.40
|
1.7
|
2
|
7
|
78.41
|
2
|
|
|
(2S)-2-Hydroxy-3-butenyl-glucosinolate
|
389.40
|
-1.9
|
6
|
12
|
220.02
|
8
|
|
|
Neopulchellin
|
266.33
|
1.7
|
2
|
4
|
66.76
|
0
|
|
|
(3aR,5R,5aS,6S,8S,8aS,9aR)-6,8-dihydroxy-5,8a-dimethyl-1-methylidene-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno[6,5-b]furan-2-one
|
266.33
|
1.7
|
2
|
4
|
66.76
|
0
|
|
|
(3aS,5R,5aS,6S,8S,8aS,9aR)-6,8-dihydroxy-5,8a-dimethyl-1-methylidene-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno[6,5-b]furan-2-one
|
266.33
|
1.7
|
2
|
4
|
66.76
|
0
|
|
|
(1S,2R,4R,5S)-Cyclohexane-1,2,3,4,5-pentol
|
164.16
|
-2.7
|
5
|
5
|
101.15
|
0
|
|
|
(1S,2R,3R,9S,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-3-ol
|
250.38
|
1.6
|
1
|
3
|
26.71
|
0
|
|
|
(1R,2S,4S,5'R,6R,7S,8R,9S,10R,12S,13S,16S,18R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-10,16-diol
|
432.60
|
5.1
|
2
|
4
|
58.92
|
0
|
|
|
21-Episerratenediol
|
442.70
|
7.5
|
2
|
2
|
40.46
|
0
|
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