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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Calotropagenin
|
404.50
|
0.3
|
3
|
6
|
104.06
|
2
|
|
|
(2E,4E,8E,10E,12E)-N-(2-hydroxy-2-methylpropyl)tetradeca-2,4,8,10,12-pentaenamide
|
289.40
|
3.5
|
2
|
2
|
49.33
|
9
|
|
|
Hydroxy-gamma-Sanshool
|
289.40
|
3.5
|
2
|
2
|
49.33
|
9
|
|
|
(2E,4E,8Z,11Z)-N-(2-hydroxy-2-methylpropyl)tetradeca-2,4,8,11-tetraenamide
|
291.40
|
3.5
|
2
|
2
|
49.33
|
10
|
|
|
(2E,4E,8Z,11E)-N-(2-hydroxy-2-methylpropyl)tetradeca-2,4,8,11-tetraenamide
|
291.40
|
3.5
|
2
|
2
|
49.33
|
10
|
|
|
Dihydrobaicalein 7-O-glucuronide
|
448.40
|
0.8
|
6
|
11
|
183.21
|
4
|
|
|
Dihydrobaicalin
|
448.40
|
0.8
|
6
|
11
|
183.21
|
4
|
|
|
Chrysin-7-O-glucuronide
|
430.40
|
1.5
|
5
|
10
|
166.89
|
4
|
|
|
Regaloside C
|
416.40
|
-1.4
|
7
|
11
|
186.37
|
9
|
|
|
Glyceryl 1,3-diferulate
|
444.40
|
2.8
|
3
|
9
|
131.75
|
12
|
|
|
1-O-p-Coumaroyl-3-O-feruloylglycerol
|
414.40
|
2.8
|
3
|
8
|
122.52
|
11
|
|
|
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(5-hydroxy-3,4,6-trimethoxy-9,10-dihydrophenanthren-2-yl)oxy]oxane-3,4,5-triol
|
464.50
|
1.2
|
5
|
10
|
147.3
|
6
|
|
|
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(7-hydroxy-2,3,6-trimethoxy-9,10-dihydrophenanthren-4-yl)oxy]oxane-3,4,5-triol
|
464.50
|
1.2
|
5
|
10
|
147.3
|
6
|
|
|
2-[2-[1-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-4-(3-hydroxypropyl)-6-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
524.60
|
0.6
|
7
|
11
|
178.53
|
12
|
|
|
Blumenol C glucoside
|
372.50
|
0.3
|
4
|
7
|
116.45
|
6
|
|
|
Byzantionoside B
|
372.50
|
0.3
|
4
|
7
|
116.45
|
6
|
|
|
4-Hydroxy-3,5,5-trimethyl-4-[3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]cyclohex-2-en-1-one
|
388.50
|
-0.8
|
5
|
8
|
136.68
|
6
|
|
|
icariside B5
|
388.50
|
-0.8
|
5
|
8
|
136.68
|
6
|
|
|
Blumenol C
|
210.31
|
1.9
|
1
|
2
|
37.3
|
3
|
|
|
9-Epiblumenol B
|
226.31
|
0.8
|
2
|
3
|
57.53
|
3
|
|
|
blumenol B
|
226.31
|
0.8
|
2
|
3
|
57.53
|
3
|
|
|
(3S)-5-[(E)-3-[3,5-dimethoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoxy]-3-methyl-5-oxo-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoic acid
|
678.60
|
-2.6
|
9
|
18
|
280.82
|
16
|
|
|
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[(1S)-1-hydroxyprop-2-enyl]-2,6-dimethoxyphenoxy]oxane-3,4,5-triol
|
372.40
|
-1.1
|
5
|
9
|
138.07
|
7
|
|
|
exo-Dehydrochalepin
|
296.40
|
5.2
|
0
|
3
|
39.44
|
3
|
|
|
[(3S,5S,8R,9S,10S,13R,14S,17R)-10-formyl-14-hydroxy-13-methyl-17-(6-oxopyran-3-yl)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-5-yl] acetate
|
620.70
|
-0.6
|
5
|
12
|
193.19
|
7
|
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