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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(13Z)-3-methoxytricyclo[20.2.2.02,7]hexacosa-1(24),2(7),3,5,13,22,25-heptaene-5,24,25-triol
|
424.60
|
8.5
|
3
|
4
|
69.92
|
1
|
|
|
Leucosesterlactone
|
432.50
|
2.5
|
2
|
6
|
93.06
|
5
|
|
|
CID 11201318
|
432.60
|
5.5
|
2
|
4
|
58.92
|
0
|
|
|
[(2S,3S)-3-(acetyloxymethyl)-4-(4-hydroxy-3,5-dimethoxyphenyl)-2-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]butyl] acetate
|
504.50
|
3.8
|
1
|
10
|
118.98
|
14
|
|
|
[(1R)-2-methyl-1-[(2S,4Z)-5-oxo-4-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylidene]oxolan-2-yl]prop-2-enyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
|
506.50
|
1.1
|
5
|
11
|
172.21
|
10
|
|
|
kaempferol-3-O-(2,3-di-O-acetyl-alpha-L-rhamnopyranoside)
|
516.40
|
2.4
|
4
|
12
|
182.19
|
7
|
|
|
Pityriarubin A
|
526.50
|
2.2
|
5
|
5
|
130.84
|
3
|
|
|
Hythiemoside B
|
526.70
|
2.2
|
5
|
9
|
145.91
|
7
|
|
|
Epicatechin-(3'-O-7'')-epiafzelechin
|
562.50
|
2.1
|
8
|
11
|
189.53
|
4
|
|
|
(1S,4aS,7R,7aS)-7-hydroxy-7-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,7a-dihydro-1H-cyclopenta[c]pyran-4-carboxylic acid
|
566.50
|
-0.9
|
7
|
14
|
221.9
|
10
|
|
|
(1S,4aS,7R,7aS)-7-hydroxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxy-4a,7a-dihydro-1H-cyclopenta[c]pyran-4-carboxylic acid
|
566.50
|
-1.4
|
7
|
14
|
221.9
|
10
|
|
|
(E)-5-[7-[5-[(1E,3E)-5-oxo-5-piperidin-1-ylpenta-1,3-dienyl]-1,3-benzodioxol-4-yl]-1,3-benzodioxol-5-yl]-1-piperidin-1-ylpent-2-en-1-one
|
570.70
|
5.9
|
0
|
6
|
77.54
|
8
|
|
|
Dehydromethoxygaertneroside
|
576.50
|
-0.1
|
5
|
14
|
207.74
|
8
|
|
|
[(1S,2S,4S,7R,8R,9S,10S,12S,13S,16R)-8,10-diacetyloxy-2-(2-acetyloxypropan-2-yl)-4,12,13-trihydroxy-5,9-dimethyl-15-oxatetracyclo[7.6.1.02,6.013,16]hexadec-5-en-7-yl] benzoate
|
630.70
|
0.8
|
3
|
12
|
175.12
|
10
|
|
|
Linalyl valerate
|
238.37
|
4.7
|
0
|
2
|
26.3
|
9
|
|
|
(4S,5R,7R,8R,13R,16R,19R,22S)-7,22-dihydroxy-8-[(2S,4S,5R,6R)-5-[(2S,4S,5S,6R)-4-hydroxy-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-5,19-dimethyl-15,18,20-trioxapentacyclo[14.5.1.04,13.05,10.019,22]docosa-1(21),10-dien-14-one
|
810.90
|
0.7
|
4
|
16
|
199.52
|
8
|
|
|
cyclo[Gln-Thr-Gly-Met-Leu-Pro-Ile-Pro]
|
838.00
|
0.2
|
8
|
11
|
303.84
|
11
|
|
|
Polianthoside B
|
1197.30
|
-2
|
15
|
27
|
414.21
|
14
|
|
|
(2E,6S)-2,6-dimethylocta-2,7-diene-1,6-diol
|
170.25
|
1.5
|
2
|
2
|
40.46
|
5
|
|
|
7-Hydroxy-6-methoxy-4h-chromene
|
178.18
|
1.9
|
1
|
3
|
38.69
|
1
|
|
|
1-(3,6-Dihydroxy-2-methoxyphenyl)ethanone
|
182.17
|
1.4
|
2
|
4
|
66.76
|
2
|
|
|
(5R,6S,9R,10S)-3,6-dimethyl-9-propan-2-ylspiro[4.5]dec-3-en-10-ol
|
222.37
|
3.9
|
1
|
1
|
20.23
|
1
|
|
|
(3R,4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromene-3,4-diol
|
224.25
|
0.8
|
2
|
4
|
58.92
|
1
|
|
|
5-Hydroxy-3-[2-(4-hydroxyphenyl)ethyl]cyclohex-2-en-1-one
|
232.27
|
1.3
|
2
|
3
|
57.53
|
3
|
|
|
2,5-dimethoxy-3-methyl-9H-carbazole
|
241.28
|
3.7
|
1
|
2
|
34.25
|
2
|
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