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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Isonuatigenin
|
430.60
|
4.4
|
2
|
4
|
58.92
|
0
|
|
|
5-[1-(3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl)ethyl]-2,2-dimethyloxolane-3,4-diol
|
474.70
|
5.8
|
3
|
4
|
69.92
|
2
|
|
|
2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-6-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
|
448.40
|
-0.2
|
8
|
11
|
201.28
|
3
|
|
|
9-(Hydroxymethyl)-7-methyl-4,6,6a,8-tetrahydroindolo[4,3-fg]quinolin-9-ol
|
270.33
|
1.1
|
3
|
3
|
59.49
|
1
|
|
|
Isophloionolic acid
|
332.50
|
3.6
|
4
|
5
|
97.99
|
17
|
|
|
(1R,4aR,4bS,7R,10aR)-7-ethenyl-1,4a,7-trimethyl-3,4,4b,5,6,8,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid
|
302.50
|
5.3
|
1
|
2
|
37.3
|
2
|
|
|
Isopimara-7,15-dienal
|
286.50
|
5.2
|
0
|
1
|
17.07
|
2
|
|
|
(1R,2S,5R)-2,6,6-Trimethylbicyclo[3.1.1]heptan-3-one
|
152.23
|
2.3
|
0
|
1
|
17.07
|
0
|
|
|
2-Cyclohexen-1-ol, 3-methyl-6-(1-methylethenyl)-, (1R,6R)-
|
152.23
|
2.1
|
1
|
1
|
20.23
|
1
|
|
|
Isoporoidine
|
211.30
|
2.3
|
1
|
3
|
38.33
|
4
|
|
|
4'-Demethyldeoxypodophyllotoxin beta-D-glucopyranoside
|
546.50
|
1.2
|
4
|
12
|
162.6
|
6
|
|
|
Pachybiose
|
322.35
|
-1.8
|
3
|
8
|
114.68
|
8
|
|
|
(1S,2S,4S,5'S,6R,7S,8R,9S,12S,13R,15R,16R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-15,16-diol
|
430.60
|
4.7
|
2
|
4
|
58.92
|
0
|
|
|
Limacusine
|
608.70
|
6.3
|
1
|
8
|
72.86
|
3
|
|
|
Limocitrol
|
376.30
|
2.4
|
4
|
9
|
138.82
|
4
|
|
|
6-Chloro-7-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4a,5,7-triol
|
398.79
|
-3
|
7
|
10
|
169.3
|
3
|
|
|
(1S,4aS,5S,6R,7R,7aS)-6-chloro-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4a,5,7-triol
|
398.79
|
-3
|
7
|
10
|
169.3
|
3
|
|
|
Neolinderalactone
|
244.28
|
2.7
|
0
|
3
|
39.44
|
0
|
|
|
CID 12311263
|
260.28
|
1.9
|
0
|
4
|
51.97
|
0
|
|
|
4,9-Dimethyl-13-methylidene-6-oxatetracyclo[7.4.0.03,7.010,12]trideca-3(7),4-dien-2-ol
|
230.30
|
2.1
|
1
|
2
|
33.37
|
0
|
|
|
4-(Methoxymethyl)-9-methyl-13-methylidene-6-oxatetracyclo[7.4.0.03,7.010,12]trideca-3(7),4-diene
|
244.33
|
2.5
|
0
|
2
|
22.37
|
2
|
|
|
CID 12311268
|
244.33
|
2.5
|
0
|
2
|
22.37
|
2
|
|
|
(4aS,8aS)-3,8a-Dimethyl-5-methylene-4,4a,5,6,8a,9-hexahydronaphtho[2,3-b]furan
|
214.30
|
3.7
|
0
|
1
|
13.14
|
0
|
|
|
3,8a-dimethyl-5-methylidene-4a,6,9,9a-tetrahydro-4H-benzo[f][1]benzofuran-2-one
|
230.30
|
2.5
|
0
|
2
|
26.3
|
0
|
|
|
(4aS,8aS,9aS)-3,8a-dimethyl-5-methylidene-4a,6,9,9a-tetrahydro-4H-benzo[f][1]benzofuran-2-one
|
230.30
|
2.5
|
0
|
2
|
26.3
|
0
|
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