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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
5,6,2'-Trihydroxy-7,8,6'-trimethoxyflavone
|
360.30
|
2.6
|
3
|
8
|
118.59
|
4
|
|
|
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(2-hydroxyphenyl)-8-methoxy-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid
|
476.40
|
1.1
|
6
|
12
|
196.35
|
5
|
|
|
4-Hydroxyhippuric acid
|
195.17
|
-0.6
|
3
|
4
|
86.63
|
3
|
|
|
13-Methyltetradecanoic acid
|
242.40
|
5.5
|
1
|
2
|
37.3
|
12
|
|
|
1-[(1R)-1,3-dimethylcyclohex-3-en-1-yl]-4-methylbenzene
|
200.32
|
4.5
|
0
|
0
|
0
|
1
|
|
|
4alpha,14alpha-Dimethyl-5alpha-cholesta-8,24-dien-3beta-ol
|
412.70
|
8.5
|
1
|
1
|
20.23
|
4
|
|
|
5-Methoxytryptophan
|
234.25
|
-0.8
|
3
|
4
|
88.34
|
4
|
|
|
Daphneside
|
502.40
|
-2.4
|
8
|
14
|
228.97
|
6
|
|
|
[(2S)-3-hydroxy-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] (E)-3-(4-methoxyphenyl)prop-2-enoate
|
414.40
|
-0.7
|
5
|
10
|
155.14
|
10
|
|
|
[(2S)-3-hydroxy-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] (E)-3-phenylprop-2-enoate
|
384.40
|
-0.7
|
5
|
9
|
145.91
|
9
|
|
|
Regaloside K
|
416.40
|
-1.4
|
7
|
11
|
186.37
|
9
|
|
|
[(2R)-1-hydroxy-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
|
416.40
|
-1.4
|
7
|
11
|
186.37
|
9
|
|
|
Eugenol rutinoside
|
472.50
|
-0.8
|
6
|
11
|
167.53
|
8
|
|
|
2-[(1S,2S)-2-formyl-1,3,3-trimethylcyclohexyl]-3,4-dihydroxy-5-propan-2-ylbenzaldehyde
|
332.40
|
4.5
|
2
|
4
|
74.6
|
4
|
|
|
(1S,2S,4S,7R,9R,13S,14R,15S,16S,17S)-4,16-dihydroxy-15-methoxy-2,14,17-trimethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadecane-3,11-dione
|
366.40
|
1.3
|
2
|
6
|
93.06
|
1
|
|
|
(1S,2R,7R,9R,13S,14R,15S,16S,17S)-16-hydroxy-4,15-dimethoxy-2,14,17-trimethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-4-ene-3,6,11-trione
|
392.40
|
1.1
|
1
|
7
|
99.13
|
2
|
|
|
[(1S,7S,8S)-7-hydroxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl 3-methyl-2-propanoyloxybut-2-enoate
|
311.37
|
2
|
1
|
6
|
76.07
|
7
|
|
|
gamma-Glu-leu
|
260.29
|
-2.4
|
4
|
6
|
129.72
|
8
|
|
|
5-Deoxystrigol
|
330.40
|
2.7
|
0
|
5
|
61.83
|
2
|
|
|
[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl] (4aR,5R,6aR,6aS,6bR,8aR,9R,10R,11S,12aR,14bS)-5-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-10,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
931.10
|
-0.2
|
12
|
19
|
315.21
|
9
|
|
|
(4aR,5R,6aR,6aS,6bR,8aR,9R,10R,11S,12aR,14bS)-10-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
|
829.00
|
0.9
|
11
|
16
|
276.52
|
8
|
|
|
(3R)-3-methyltetradecan-2-one
|
226.40
|
6.2
|
0
|
1
|
17.07
|
11
|
|
|
Selenocystine
|
334.11
|
|
4
|
6
|
126.64
|
7
|
|
|
b-Sitosterol b-D-Glucuronide
|
590.80
|
8
|
4
|
7
|
116.45
|
9
|
|
|
1-Methylcyclopropene
|
54.09
|
1
|
0
|
0
|
0
|
0
|
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