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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(4aS,5R,8aS,9aS)-3,5,8a-trimethyl-4a,5,9,9a-tetrahydro-4H-benzo[f][1]benzofuran-2,6-dione
|
246.30
|
2
|
0
|
3
|
43.37
|
0
|
|
|
Butyl propionate
|
130.18
|
2.1
|
0
|
2
|
26.3
|
5
|
|
|
1-(7-Hydroxy-2,6-dimethyl-1-naphthyl)-4-methyl-3-pentanone
|
270.40
|
4.5
|
1
|
2
|
37.3
|
4
|
|
|
Graphislactone H
|
316.30
|
3.5
|
1
|
6
|
78.13
|
3
|
|
|
DL-Tyrosine
|
181.19
|
-2.3
|
3
|
4
|
83.55
|
3
|
|
|
Hemigossypol
|
260.28
|
3.6
|
3
|
4
|
77.76
|
2
|
|
|
(1S,12S,13S,14R,15E)-15-ethylidene-7-methoxy-3-methyl-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4(9),5,7-tetraene-13-carbaldehyde
|
336.40
|
1.9
|
0
|
3
|
34.47
|
2
|
|
|
Salvianolic acid G
|
340.30
|
2.7
|
4
|
7
|
124.29
|
1
|
|
|
methyl (1R,12S,13R,19R)-12-ethyl-13-hydroxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,9-tetraene-10-carboxylate
|
354.40
|
2.5
|
2
|
5
|
61.8
|
3
|
|
|
4-O-Methylgrifolic acid
|
386.50
|
7.6
|
2
|
4
|
66.76
|
10
|
|
|
CID 11531613
|
408.50
|
3.3
|
0
|
6
|
71.06
|
3
|
|
|
Apteniol E
|
434.40
|
2.9
|
2
|
9
|
120.75
|
12
|
|
|
(E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-en-1-one
|
462.40
|
1.4
|
5
|
10
|
155.14
|
8
|
|
|
1-(2-Hydroxy-4,7-dimethoxyphenanthren-1-yl)-4-methoxyphenanthrene-2,7-diol
|
492.50
|
7.4
|
3
|
6
|
88.38
|
4
|
|
|
Andrographatoside
|
498.60
|
1.5
|
6
|
9
|
156.91
|
9
|
|
|
(2S,3R,4R,5R,6S)-2-[(2S,3R,4S,5R)-3,5-dihydroxy-2-[3-hydroxy-5-[2-(4-hydroxyphenyl)ethyl]phenoxy]oxan-4-yl]oxy-6-methyloxane-3,4,5-triol
|
508.50
|
0.2
|
7
|
11
|
178.53
|
7
|
|
|
[(1R,2S,6R,10S,11R,13S,15R)-8-(acetyloxymethyl)-1,6-dihydroxy-4,12,12,15-tetramethyl-5-oxo-13-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] (Z)-octadec-9-enoate
|
654.90
|
8.8
|
2
|
7
|
110.13
|
20
|
|
|
1,2-Butadiene
|
54.09
|
1
|
0
|
0
|
0
|
0
|
|
|
(2S,3R,4R,5R)-2-methyl-6-[[(2R,3S,4S,5R)-3,4,5-trihydroxy-6-[[(14R)-12-hydroxy-4,4,8,10,14-pentamethyl-17-[(2S)-6-methyl-2-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxan-2-yl]methoxy]oxane-3,4,5-triol
|
931.20
|
2.4
|
11
|
17
|
277.91
|
12
|
|
|
bis[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl] (2R)-2-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(E)-3-phenylprop-2-enoyl]oxyoxan-2-yl]oxy-2-(2-methylpropyl)butanedioate
|
1019.00
|
0.6
|
11
|
23
|
356.81
|
24
|
|
|
2-Hexyl-5-methylresorcinol
|
208.30
|
4.5
|
2
|
2
|
40.46
|
5
|
|
|
Phenol, 2-[(1H-purin-6-ylamino)methyl]-
|
241.25
|
1.6
|
3
|
5
|
86.72
|
3
|
|
|
5-hydroxy-2-phenethyl-4H-chromen-4-one
|
266.29
|
4
|
1
|
3
|
50.44
|
3
|
|
|
Strobochrysin
|
268.26
|
2.5
|
2
|
4
|
70.67
|
1
|
|
|
Neostenine
|
277.40
|
3.2
|
0
|
3
|
29.54
|
1
|
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