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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[(2R,3S,4S,5R,6S)-5-acetyloxy-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-6-yl]-3,4-dihydroxyoxan-2-yl]methyl acetate
|
532.40
|
0.4
|
6
|
13
|
213.42
|
7
|
|
|
2'',6''-Diacetylorientin
|
532.40
|
0.4
|
6
|
13
|
213.42
|
7
|
|
|
[(2R,3S,4S,5R,6S)-5-acetyloxy-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-8-yl]-3,4-dihydroxyoxan-2-yl]methyl acetate
|
532.40
|
0.4
|
6
|
13
|
213.42
|
7
|
|
|
[2-[2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-6-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] acetate
|
490.40
|
0.4
|
7
|
12
|
207.35
|
5
|
|
|
[(2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-6-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] acetate
|
490.40
|
0.4
|
7
|
12
|
207.35
|
5
|
|
|
2''-Acetylorientin
|
490.40
|
0.4
|
7
|
12
|
207.35
|
5
|
|
|
[(2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-8-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] acetate
|
490.40
|
0.4
|
7
|
12
|
207.35
|
5
|
|
|
Androstan-17-one, 3-ethyl-3-hydroxy-, (5alpha)-
|
318.50
|
4.4
|
1
|
2
|
37.3
|
1
|
|
|
2-Triacontanone
|
436.80
|
14.4
|
0
|
1
|
17.07
|
27
|
|
|
Artonin C
|
678.70
|
7.6
|
8
|
10
|
195.98
|
9
|
|
|
(2E)-1-[3-[(1S,5S,6R)-6-[2,4-Dihydroxy-3-[(1E)-3-methyl-1-buten-1-yl]benzoyl]-5-(2,4-dihydroxyphenyl)-3-methyl-2-cyclohexen-1-yl]-2,4-dihydroxyphenyl]-3-(2,4-dihydroxyphenyl)-2-propen-1-one
|
678.70
|
7.6
|
8
|
10
|
195.98
|
9
|
|
|
Artonin D
|
676.70
|
7.2
|
7
|
10
|
184.98
|
7
|
|
|
(2E)-3-(2,4-Dihydroxyphenyl)-1-[3-[(1S,5S,6R)-5-(2,4-dihydroxyphenyl)-6-[(5-hydroxy-2,2-dimethyl-2H-1-benzopyran-6-yl)carbonyl]-3-methyl-2-cyclohexen-1-yl]-2,4-dihydroxyphenyl]-2-propen-1-one
|
676.70
|
7.2
|
7
|
10
|
184.98
|
7
|
|
|
4-[(2R,3R,4R,5R)-5-(4-hydroxyphenyl)-3,4-dimethyloxolan-2-yl]benzene-1,2-diol
|
300.30
|
3.4
|
3
|
4
|
69.92
|
2
|
|
|
8-(4-Hydroxy-3-methoxyphenyl)-3-methoxy-6,7-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol
|
328.40
|
4.5
|
2
|
4
|
58.92
|
3
|
|
|
[(1R,2S,4aS,5R,6R,8aR)-5,6-dihydroxy-4a-methyl-8-methylidene-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalen-1-yl] acetate
|
296.40
|
2.2
|
2
|
4
|
66.76
|
3
|
|
|
Siderone
|
302.50
|
3.7
|
1
|
2
|
37.3
|
1
|
|
|
3-(3,4-Dihydroxyphenyl)-1-(4-hydroxy-2-methoxyphenyl)prop-2-en-1-one
|
286.28
|
2.6
|
3
|
5
|
86.99
|
4
|
|
|
1-Methyl-7-prop-1-en-2-yl-5,6,7,8-tetrahydronaphthalen-2-ol
|
202.29
|
4.3
|
1
|
1
|
20.23
|
1
|
|
|
(R)-5,6,7,8-Tetrahydro-3-hydroxy-7-isopropenyl-1-naphthalenecarbaldehyde
|
216.27
|
3.4
|
1
|
2
|
37.3
|
2
|
|
|
2-Hydroxyplatyphyllide
|
230.26
|
2.9
|
1
|
3
|
46.53
|
1
|
|
|
CID 14681768
|
230.26
|
2.9
|
1
|
3
|
46.53
|
1
|
|
|
4-Hydroxy-1,4a-dimethyl-7-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one
|
234.33
|
2.6
|
1
|
2
|
37.3
|
1
|
|
|
Ligucyperonol
|
234.33
|
2.6
|
1
|
2
|
37.3
|
1
|
|
|
(3R,4R)-4-[(3,4-dihydroxyphenyl)methyl]-3-[(3,4-dimethoxyphenyl)methyl]oxolan-2-one
|
358.40
|
3.3
|
2
|
6
|
85.22
|
6
|
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