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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[(2S,3S,4S,5S,6S)-6-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-[7-hydroxy-2-(4-hydroxyphenyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-3-yl]oxy-6-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
|
1110.00
|
|
13
|
25
|
400.73
|
20
|
|
|
(E)-3,7-Dimethyl-2,6-octadienyl 2-methylisocrotonate
|
236.35
|
4.7
|
0
|
2
|
26.3
|
7
|
|
|
4-Allyl-2-methoxyphenyl 2-methylbutyrate
|
248.32
|
4.1
|
0
|
3
|
35.53
|
7
|
|
|
N'-[(4-chlorophenyl)methyl]-N,N-dimethyl-N'-pyrimidin-2-ylethane-1,2-diamine
|
290.79
|
2.8
|
0
|
4
|
32.26
|
6
|
|
|
(6aS,11aR)-1,3-dimethoxy-2-(3-methylbut-2-enyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-9-ol
|
368.40
|
4.5
|
1
|
5
|
57.15
|
4
|
|
|
Pentaacetyl geniposide
|
598.50
|
0
|
0
|
15
|
185.49
|
16
|
|
|
Medicagenic acid 3-O-beta-D-glucopyranoside
|
664.80
|
3.6
|
7
|
11
|
194.21
|
5
|
|
|
[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-4-methylsulfanyl-N-sulfooxybutanimidothioate
|
407.50
|
-0.9
|
5
|
12
|
225.09
|
9
|
|
|
Escin
|
1131.30
|
0.7
|
13
|
24
|
388.04
|
16
|
|
|
Esculin hydrate
|
358.30
|
|
6
|
10
|
181.32
|
3
|
|
|
Cellulose
|
342.30
|
-4.7
|
8
|
11
|
189.53
|
4
|
|
|
2',5-Digalloylhamamelofuranose
|
484.40
|
-1.1
|
9
|
14
|
243.9
|
8
|
|
|
Tetracosanoic acid tryptamide
|
510.80
|
12.9
|
1
|
1
|
34.03
|
25
|
|
|
Aromadendrene oxide 2
|
220.35
|
3.7
|
0
|
1
|
12.53
|
0
|
|
|
Cannabielsoin
|
330.50
|
5.4
|
2
|
3
|
49.69
|
5
|
|
|
Apigenin-7-(2-O-apiosylglucoside)
|
564.50
|
-0.4
|
8
|
14
|
228.97
|
7
|
|
|
Ginkgolide C, analytical standard
|
440.40
|
-1.4
|
4
|
11
|
169.05
|
1
|
|
|
(1S,3R)-cis-4-Carene
|
136.23
|
3.3
|
0
|
0
|
0
|
0
|
|
|
(-)-Car-4-ene
|
136.23
|
3.3
|
0
|
0
|
0
|
0
|
|
|
N-[2-(1H-Indol-1-yl)ethyl]icosanamide
|
454.70
|
10.7
|
1
|
1
|
34.03
|
21
|
|
|
Phthalic Acid-d4
|
170.15
|
0.7
|
2
|
4
|
74.6
|
2
|
|
|
Quercetin hydrate
|
320.25
|
|
6
|
8
|
162.86
|
1
|
|
|
methyl (1S,4aS,6S,7R,7aS)-6-hydroxy-7-methyl-1-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
|
390.40
|
-1.4
|
5
|
10
|
155.14
|
5
|
|
|
methyl (1S,9S,16S,18R,21R)-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3,5,7,14-tetraene-18-carboxylate
|
336.40
|
2.8
|
1
|
4
|
41.57
|
2
|
|
|
[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (1S,2R,4aS,6aR,6aS,6bR,9R,10R,11R,12aR)-10,11-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate
|
959.10
|
0.1
|
12
|
19
|
315.21
|
10
|
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