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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
6alpha-Hydroxycastasterone
|
466.70
|
5
|
5
|
5
|
101.15
|
5
|
|
|
Vitetrifolin B
|
362.50
|
5
|
1
|
4
|
59.67
|
5
|
|
|
Vitetrifolin C
|
360.50
|
4.5
|
1
|
4
|
59.67
|
5
|
|
|
(4aS,6aS,8R,10aS,10bR)-8-ethenyl-4,4,6a,8,10b-pentamethyl-4a,5,6,9,10,10a-hexahydro-1H-pyrano[4,3-f]chromen-2-one
|
306.40
|
3.6
|
0
|
3
|
35.53
|
1
|
|
|
1,2,10-Trimethoxy-7-oxoaporphine
|
339.40
|
3.1
|
0
|
5
|
48
|
3
|
|
|
1,13-Dihydroxy-herbertene
|
234.33
|
3.7
|
2
|
2
|
40.46
|
2
|
|
|
5-(methoxymethyl)-3-[(1S)-1,2,2-trimethylcyclopentyl]benzene-1,2-diol
|
264.36
|
4
|
2
|
3
|
49.69
|
3
|
|
|
(4R)-4-hydroxy-4-methyl-2-[(1S)-1,2,2-trimethylcyclopentyl]cyclohexa-2,5-dien-1-one
|
234.33
|
3.4
|
1
|
2
|
37.3
|
1
|
|
|
5-Henicosylbenzene-1,3-diol
|
404.70
|
12.3
|
2
|
2
|
40.46
|
20
|
|
|
5-Tricosyl-1,3-benzenediol
|
432.70
|
13.4
|
2
|
2
|
40.46
|
22
|
|
|
(E,6R)-6-[(3R,5R,10S,13S,17S)-3-hydroxy-4,4,10,13,17-pentamethyl-2,3,5,6,7,11,12,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid
|
454.70
|
6.9
|
2
|
3
|
57.53
|
5
|
|
|
5-Pentacosylbenzene-1,3-diol
|
460.80
|
14.5
|
2
|
2
|
40.46
|
24
|
|
|
4-Hydroxy-4-methylcyclohex-2-en-1-one
|
126.15
|
0
|
1
|
2
|
37.3
|
0
|
|
|
4-[(7R)-2,2-dimethyl-7,8-dihydro-6H-pyrano[3,2-g]chromen-7-yl]benzene-1,3-diol
|
324.40
|
3.9
|
2
|
4
|
58.92
|
1
|
|
|
eryvarin D
|
336.40
|
5.1
|
1
|
4
|
51.83
|
3
|
|
|
9-methoxy-2,10-bis(3-methylbut-2-enyl)-6H-[1]benzofuro[3,2-c]chromen-3-ol
|
404.50
|
7
|
1
|
4
|
51.83
|
5
|
|
|
(E)-3-[(9R,10R)-6,9-dihydroxy-10-(hydroxymethyl)-4,7-dimethoxy-9,10-dihydrophenanthren-2-yl]prop-2-enal
|
356.40
|
1.9
|
3
|
6
|
96.22
|
5
|
|
|
Laudanosine
|
357.40
|
3.7
|
0
|
5
|
40.16
|
6
|
|
|
CID 15548655
|
352.50
|
2.6
|
2
|
5
|
75.99
|
0
|
|
|
(4aR,5R,8S,8aR)-5-hydroxy-5-methyl-8-propan-2-yl-4,4a,6,7,8,8a-hexahydro-3H-naphthalene-2-carbaldehyde
|
236.35
|
2.6
|
1
|
2
|
37.3
|
2
|
|
|
2-[(1S,2R,4R,4aR,6R,8R,8aS)-4-acetyloxy-8-benzoyloxy-1-(carboxymethyl)-6-ethenyl-4a-hydroxy-1,6-dimethyl-5-oxo-2,3,4,7,8,8a-hexahydronaphthalen-2-yl]-2-methylpropanoic acid
|
544.60
|
3.3
|
3
|
10
|
164.5
|
10
|
|
|
secoorthosiphol B
|
558.60
|
3.6
|
2
|
10
|
153.5
|
11
|
|
|
2-[(1S,2R,4R,4aR,6R,8R,8aS)-4-acetyloxy-8-benzoyloxy-1-(cyanomethyl)-6-ethenyl-4a-hydroxy-1,6-dimethyl-5-oxo-2,3,4,7,8,8a-hexahydronaphthalen-2-yl]-2-methylpropanoic acid
|
525.60
|
3.5
|
2
|
9
|
150.99
|
9
|
|
|
(2S,3S,5R)-2-(((3S,5S,6S)-3,4,5-Trihydroxy-6-(oct-1-en-3-yloxy)tetrahydro-2H-pyran-2-yl)methoxy)tetrahydro-2H-pyran-2,3,4,5-tetraol
|
438.50
|
-1.9
|
7
|
11
|
178.53
|
10
|
|
|
(1R,2S,10S,11S,13S,15R)-17-oxa-6-azapentacyclo[13.2.1.01,6.02,10.02,13]octadecan-11-ol
|
263.37
|
1.7
|
1
|
3
|
32.7
|
0
|
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