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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(6S)-6-[(1S,2R,4S,5R,6S)-4,5-Dihydroxy-5-methyl-7-oxabicyclo[4.1.0]hept-2-yl]-2-methyl-2-hepten-4-one
|
268.35
|
1.2
|
2
|
4
|
70.06
|
4
|
|
|
(3S,4S,4aS)-4-[(2S)-oxiran-2-yl]-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-8-one
|
374.34
|
-1.9
|
4
|
10
|
147.44
|
4
|
|
|
(3S,4R,4aR)-4a-hydroxy-4-[(2S)-oxiran-2-yl]-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4,5,6-tetrahydropyrano[3,4-c]pyran-8-one
|
390.34
|
-3
|
5
|
11
|
167.67
|
4
|
|
|
(3S,4R,4aR)-4-[(1S)-2-chloro-1-hydroxyethyl]-4a-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4,5,6-tetrahydropyrano[3,4-c]pyran-8-one
|
426.80
|
-2.1
|
6
|
11
|
175.37
|
5
|
|
|
(3S,4R,4aR)-4-[(1S)-1,2-dihydroxyethyl]-4a-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4,5,6-tetrahydropyrano[3,4-c]pyran-8-one
|
408.35
|
-3.4
|
7
|
12
|
195.6
|
5
|
|
|
[(3S,5R,10S,13S,14S,17S)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] (E)-3-phenylprop-2-enoate
|
556.90
|
11.6
|
0
|
2
|
26.3
|
8
|
|
|
[(3S,5R,8R,9S,10R,13R,14S,17S)-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (E)-3-phenylprop-2-enoate
|
574.90
|
11.2
|
1
|
3
|
46.53
|
8
|
|
|
(3R,8R,9R,10S,13R,14S,17R)-4,4,9,13,14-pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
|
426.70
|
9.2
|
1
|
1
|
20.23
|
4
|
|
|
Cucurbitadienol
|
426.70
|
9.2
|
1
|
1
|
20.23
|
4
|
|
|
(8E,11E)-heptadeca-8,11-dienal
|
250.40
|
6
|
0
|
1
|
17.07
|
13
|
|
|
8-Heptadecenal
|
252.40
|
6.7
|
0
|
1
|
17.07
|
14
|
|
|
(7E,10E,13E)-hexadeca-7,10,13-trienal
|
234.38
|
4.7
|
0
|
1
|
17.07
|
11
|
|
|
(1R,2S,5R,8R,9R)-1-(hydroxymethyl)-4,4,8-trimethyl-12-oxatricyclo[6.3.1.02,5]dodecan-9-ol
|
254.36
|
1.7
|
2
|
3
|
49.69
|
1
|
|
|
(1R,4R,6S,10S)-4,12,12-Trimethyl-5-oxatricyclo[8.2.0.04,6]dodecan-9-one
|
222.32
|
2.3
|
0
|
2
|
29.6
|
0
|
|
|
[(3aR,4R,6aR,9aR,9bR)-9-methyl-3,6-dimethylidene-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] (E)-4-hydroxy-2-[[(E)-4-hydroxy-2-methylbut-2-enoyl]oxymethyl]but-2-enoate
|
458.50
|
1.2
|
2
|
8
|
119.36
|
9
|
|
|
2-(2-Hydroxy-4-methylphenyl)propane-1,2,3-triol
|
198.22
|
0.1
|
4
|
4
|
80.92
|
3
|
|
|
3-Methyltriacontane
|
436.80
|
16.7
|
0
|
0
|
0
|
27
|
|
|
[(3S,8R,9S,10R,13R,14S,17S)-3-(dimethylamino)-17-[(1S)-1-(dimethylamino)ethyl]-10-methyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-13-yl]methanol
|
388.60
|
4.4
|
1
|
3
|
26.71
|
4
|
|
|
6-Hydroxy-7-(1-hydroxypropan-2-yl)-1,1,4a-trimethyl-3,4,10,10a-tetrahydrophenanthrene-2,9-dione
|
330.40
|
2.6
|
2
|
4
|
74.6
|
2
|
|
|
6,8a-Dimethyl-5-methylidene-1,4,4a,6,7,8-hexahydronaphthalene-1,2-dicarbaldehyde
|
232.32
|
2.4
|
0
|
2
|
34.14
|
2
|
|
|
(5,6-Diformyl-1,1,4a-trimethyl-2,3,4,5,8,8a-hexahydronaphthalen-2-yl) acetate
|
292.40
|
2.3
|
0
|
4
|
60.44
|
4
|
|
|
[(2S,4aS,5R,8aR)-5,6-diformyl-1,1,4a-trimethyl-2,3,4,5,8,8a-hexahydronaphthalen-2-yl] acetate
|
292.40
|
2.3
|
0
|
4
|
60.44
|
4
|
|
|
(1S,5R)-5-[(1R,2S)-2-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1-formylcyclopropyl]cyclopent-2-ene-1,2-dicarbaldehyde
|
314.40
|
3
|
0
|
3
|
51.21
|
8
|
|
|
(1S,6S,7R,10S,11R,14R,15R,18R,19S)-2,2,7,10,15,18-hexamethyl-14-propan-2-yl-22,23,24-trioxahexacyclo[19.2.1.01,6.07,19.010,18.011,15]tetracosane
|
458.70
|
9.8
|
0
|
3
|
27.69
|
1
|
|
|
6-Methoxy-4,8,12-trimethyl-2-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13)-tetraene-10,11-dione
|
272.29
|
2.3
|
0
|
4
|
52.6
|
1
|
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