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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
1-[(3S,8S,9S,10R,11S,12S,13S,14R,17S)-8,11,12,14-tetrahydroxy-3-[(2R,4S,5R,6R)-5-[(2S,4S,5R,6R)-5-[(2S,4S,5R,6R)-5-[(2S,3R,4S,5R,6R)-3-hydroxy-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-2,3,4,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
|
1135.30
|
-1.5
|
9
|
24
|
328.36
|
16
|
|
|
[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2R,3R,4S,5R,6R)-3-[(2S,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
1367.50
|
-2.3
|
17
|
30
|
471.74
|
16
|
|
|
3-Cyclopentene-1-acetaldehyde
|
110.15
|
1.1
|
0
|
1
|
17.07
|
2
|
|
|
(2S,3S)-2-Amino-4-hydroxy-3-methylbutanoic acid
|
133.15
|
-3.5
|
3
|
4
|
83.55
|
3
|
|
|
Ethyl 3-nitropropanoate
|
147.13
|
0.2
|
0
|
4
|
69.44
|
4
|
|
|
3-methyl-2-[(1E)-3-methylbuta-1,3-dienyl]furan
|
148.20
|
3.4
|
0
|
1
|
13.14
|
2
|
|
|
(R)-6-Butyl-1,4-cycloheptadiene
|
150.26
|
4.4
|
0
|
0
|
0
|
3
|
|
|
(4aS,7S,7aR)-7-methyl-4-methylidene-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-3-one
|
166.22
|
2.5
|
0
|
2
|
26.3
|
0
|
|
|
6-Octene-1,3-diol, 3,7-dimethyl-, (3R)-
|
172.26
|
1.8
|
2
|
2
|
40.46
|
5
|
|
|
Phenyl-1,2-Hexanedione
|
190.24
|
2.6
|
0
|
2
|
34.14
|
5
|
|
|
(3-(3-Methyl-1-oxo-2-butenyl))1h indole
|
199.25
|
3.5
|
1
|
1
|
32.86
|
2
|
|
|
Stilbostemin A
|
244.28
|
3.9
|
2
|
3
|
49.69
|
4
|
|
|
(3aS,5R)-7-hydroxy-1,5,8-trimethyl-4,5-dihydro-3aH-benzo[e][1]benzofuran-2-one
|
244.28
|
2.5
|
1
|
3
|
46.53
|
0
|
|
|
Arborescin
|
248.32
|
1.8
|
0
|
3
|
38.83
|
0
|
|
|
(3S,3aR,6aR)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-ol
|
250.25
|
0.8
|
1
|
5
|
57.15
|
1
|
|
|
(2S)-Glycerol-O-beta-D-galactopyranoside
|
254.23
|
-3.4
|
6
|
8
|
139.84
|
5
|
|
|
Ambreinolide
|
264.40
|
4.7
|
0
|
2
|
26.3
|
0
|
|
|
(-)-Dioxibrassinin
|
268.40
|
1.5
|
3
|
4
|
118.75
|
3
|
|
|
[2-(1-hydroxy-2-methoxypropan-2-yl)-5-methylphenyl] (E)-2-methylbut-2-enoate
|
278.34
|
2.4
|
1
|
4
|
55.76
|
6
|
|
|
Vulgarolid
|
280.32
|
1
|
1
|
5
|
72.83
|
0
|
|
|
Butyl sinapate
|
280.32
|
3
|
1
|
5
|
64.99
|
8
|
|
|
9-acetoxythymol 3-O-tiglate
|
290.40
|
3.7
|
0
|
4
|
52.6
|
7
|
|
|
Dendocarbin K
|
294.40
|
2.9
|
1
|
4
|
55.76
|
2
|
|
|
4,6,6-Trimethylbicyclo[3.1.1]hept-3-en-2-yl acetate
|
194.27
|
2.1
|
0
|
2
|
26.3
|
2
|
|
|
(E)-5-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enoic acid
|
304.50
|
6.3
|
1
|
2
|
37.3
|
4
|
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