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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Succinic semialdehyde
|
102.09
|
-0.8
|
1
|
3
|
54.37
|
3
|
|
|
3alpha-Acetoxydiversifolol
|
324.40
|
2.8
|
1
|
5
|
72.83
|
5
|
|
|
(2S,4aS,5R,5'R,6S,8aS)-5'-(2-hydroxyethyl)-1,1,4a,5',6-pentamethylspiro[3,4,6,7,8,8a-hexahydro-2H-naphthalene-5,2'-oxolane]-2-ol
|
324.50
|
3.8
|
2
|
3
|
49.69
|
2
|
|
|
6,7-Dihydroxy-3-(7-methoxy-1,3-benzodioxol-5-yl)chromen-4-one
|
328.27
|
2.3
|
2
|
7
|
98.36
|
2
|
|
|
Voafinidine
|
328.40
|
2.3
|
2
|
3
|
48.63
|
1
|
|
|
3-(2-Methylpropyl)-3a,4,5,6-tetrahydro-2-benzofuran-1(3h)-one
|
194.27
|
3.2
|
0
|
2
|
26.3
|
2
|
|
|
CID 11121714
|
352.40
|
2
|
1
|
5
|
58.64
|
3
|
|
|
Bauerenol
|
426.70
|
9
|
1
|
1
|
20.23
|
0
|
|
|
isojusticidin B
|
364.30
|
4
|
0
|
6
|
63.22
|
3
|
|
|
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[(1R)-1-hydroxypropyl]-2,6-dimethoxyphenoxy]oxane-3,4,5-triol
|
374.40
|
-1
|
5
|
9
|
138.07
|
7
|
|
|
Brucine N-oxide hydrate
|
410.50
|
0.4
|
0
|
5
|
71.06
|
2
|
|
|
(E)-2-Tridecyl-2-heptadecenal
|
434.80
|
14.2
|
0
|
1
|
17.07
|
26
|
|
|
(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-3,5,7,9,11,13,15,17-octaen-2-one
|
446.70
|
8.3
|
1
|
2
|
37.3
|
9
|
|
|
[(2S,3R,4S,5R,6R)-3,5-dihydroxy-2-[(3S,6E)-8-hydroxy-3,7-dimethylocta-1,6-dien-3-yl]oxy-6-(hydroxymethyl)oxan-4-yl] hydrogen sulfate
|
412.50
|
-0.5
|
5
|
10
|
171.36
|
10
|
|
|
callysponginol sulfonic acid A
|
458.70
|
8.8
|
2
|
6
|
109.28
|
20
|
|
|
Methyl propionate
|
88.11
|
0.8
|
0
|
2
|
26.3
|
2
|
|
|
Methyl acetyl oleanolate
|
512.80
|
8.4
|
0
|
4
|
52.6
|
4
|
|
|
4-[2-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(2-methyl-4-oxopyran-3-yl)oxyoxan-3-yl]oxy-3-hydroxy-3-methylbutoxy]furo[3,2-g]chromen-7-one
|
574.50
|
1.1
|
4
|
13
|
191.4
|
9
|
|
|
Cimilactone B
|
588.70
|
3.1
|
3
|
9
|
131.75
|
4
|
|
|
Taxumairol U
|
612.70
|
0.3
|
3
|
13
|
192.19
|
12
|
|
|
squamocin-G
|
622.90
|
9.7
|
3
|
7
|
105.45
|
25
|
|
|
2-[(2R,4aS,5R,6S,8aS)-2-[(1R)-2-[2-[(2R,4aS,5R,6S,8aS)-6-(2-carboxypropan-2-yl)-2-ethenyl-2,5,8a-trimethyl-3,4,4a,6,7,8-hexahydrochromen-5-yl]acetyl]oxy-1-hydroxyethyl]-5-(carboxymethyl)-2,5,8a-trimethyl-3,4,4a,6,7,8-hexahydrochromen-6-yl]-2-methylpropanoic acid
|
720.90
|
5.4
|
4
|
11
|
176.89
|
13
|
|
|
Chantriolide B
|
766.80
|
-0.5
|
6
|
16
|
243.8
|
10
|
|
|
Phakellistatin 13
|
798.90
|
3
|
7
|
8
|
222.14
|
7
|
|
|
ardisiamamilloside H
|
911.10
|
0.6
|
8
|
17
|
260.59
|
8
|
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