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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
1-Naphthylmethyl radical
|
141.19
|
3.9
|
0
|
0
|
0
|
0
|
|
|
3,7,7-Trimethylbicyclo[4.1.0]hept-3-en-2-one
|
150.22
|
2.2
|
0
|
1
|
17.07
|
0
|
|
|
3-Hydroxy-1H-phenalen-1-one
|
196.20
|
2.5
|
1
|
2
|
37.3
|
0
|
|
|
3,8-Dihydroxy-10-methoxyisochromeno[4,3-b]chromen-7(5h)-one
|
312.27
|
2.7
|
2
|
6
|
89.13
|
1
|
|
|
Dehydrohexahydroxydiphenic acid
|
354.22
|
-2.2
|
7
|
11
|
202.05
|
2
|
|
|
7-[(2S,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
|
594.50
|
-0.4
|
9
|
15
|
249.2
|
6
|
|
|
5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
|
756.70
|
-2.7
|
12
|
20
|
328.35
|
9
|
|
|
Quercetin 3-rhamnoside-7-glucoside
|
610.50
|
-0.9
|
10
|
16
|
269.43
|
6
|
|
|
2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-3-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
|
594.50
|
-0.4
|
9
|
15
|
249.2
|
5
|
|
|
(2S,3R,4S,5S,6R)-2-[3-[(2S,3R,4S,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-7-hydroxychromenylium-5-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
743.60
|
|
13
|
19
|
329.67
|
9
|
|
|
3-[[(2R,3S,4S,5S,6S)-6-[3-[(2S,3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-7-hydroxychromenylium-5-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid
|
829.70
|
|
13
|
22
|
373.04
|
13
|
|
|
3-[(2S,3R,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
|
624.50
|
-0.4
|
9
|
16
|
258.43
|
7
|
|
|
3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
|
610.50
|
-0.7
|
10
|
16
|
269.43
|
6
|
|
|
(3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-4,5-dihydroxycyclohexene-1-carboxylic acid
|
336.29
|
0.2
|
5
|
8
|
144.52
|
5
|
|
|
5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
|
594.50
|
-0.6
|
9
|
15
|
249.2
|
6
|
|
|
[(2R,3S,4R,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
|
595.50
|
|
8
|
12
|
217.9
|
8
|
|
|
2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
|
626.50
|
-1.4
|
11
|
17
|
289.66
|
7
|
|
|
Kaempferol 3-galactoside-7-rhamnoside
|
594.50
|
-0.6
|
9
|
15
|
249.2
|
6
|
|
|
5-hydroxy-2-[3-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-7-[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
|
610.50
|
-1.3
|
10
|
16
|
269.43
|
7
|
|
|
5-hydroxy-2-[4-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-7-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
|
610.50
|
-1.3
|
10
|
16
|
269.43
|
7
|
|
|
5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
|
578.50
|
-0.8
|
8
|
14
|
228.97
|
6
|
|
|
Distichin
|
448.40
|
0.8
|
6
|
11
|
179.28
|
4
|
|
|
(2R,3R)-2,5,7-trihydroxy-3-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
|
288.25
|
2
|
4
|
6
|
107.22
|
1
|
|
|
5-hydroxy-2-(4-hydroxyphenyl)-3-[(2S,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-[(2S,3R,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
|
594.50
|
-0.6
|
9
|
15
|
249.2
|
6
|
|
|
5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
|
610.50
|
-1.4
|
10
|
16
|
269.43
|
7
|
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