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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
23-Hydroxyphysalolactone
|
555.10
|
0.4
|
6
|
9
|
164.75
|
2
|
|
|
3,4-Bis(1,3-benzodioxol-5-ylmethyl)-3-hydroxyoxolan-2-one
|
370.40
|
2.9
|
1
|
7
|
83.45
|
4
|
|
|
5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-methoxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
|
508.40
|
0.7
|
7
|
13
|
208.74
|
6
|
|
|
[(2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] acetate
|
520.40
|
1.3
|
6
|
13
|
205.58
|
7
|
|
|
3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
|
508.40
|
0.7
|
7
|
13
|
208.74
|
6
|
|
|
Limocitrin 3,7-diglucoside
|
670.60
|
-1.1
|
10
|
18
|
287.89
|
9
|
|
|
Lycopersiconolide
|
362.50
|
4.2
|
2
|
4
|
66.76
|
0
|
|
|
9-Phenyl-1-(2,4,6-trihydroxyphenyl)nonan-1-one
|
342.40
|
6
|
3
|
4
|
77.76
|
10
|
|
|
[(2R,3S,4S,5R,6S)-6-[(2S,3R,4R,5S,6S)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate
|
636.60
|
-0.4
|
8
|
16
|
255.27
|
8
|
|
|
Kaempferol 3-O-rhamninoside
|
740.70
|
-2
|
11
|
19
|
308.12
|
8
|
|
|
(5-Acetyloxy-6-benzoyloxy-3,8-dioxatricyclo[5.1.0.02,4]octan-4-yl)methyl benzoate
|
424.40
|
2.5
|
0
|
8
|
103.96
|
9
|
|
|
(2S)-5-hydroxy-2-(4-hydroxyphenyl)-8,8-dimethyl-2,3-dihydropyrano[2,3-h]chromen-4-one
|
338.40
|
3.7
|
2
|
5
|
75.99
|
1
|
|
|
Glucodistylin
|
466.40
|
-0.1
|
8
|
12
|
206.6
|
4
|
|
|
Taxifolin-3-glucoside
|
466.40
|
-0.1
|
8
|
12
|
206.6
|
4
|
|
|
29-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-7,8,9,12,13,14,17,18,19,25-decahydroxy-24-(hydroxymethyl)-3,23,26-trioxahexacyclo[13.10.3.12,6.05,10.011,28.016,21]nonacosa-5(10),6,8,11,13,15(28),16,18,20-nonaene-4,22,27-trione
|
904.70
|
1.5
|
16
|
23
|
411.81
|
3
|
|
|
Methyl 2-[2,3-dimethoxy-6-methoxycarbonyl-4-(2,3,4-trimethoxy-6-methoxycarbonylphenoxy)phenyl]-3,4,5-trimethoxybenzoate
|
660.60
|
4.4
|
0
|
15
|
161.97
|
17
|
|
|
Aginoside progenin
|
772.90
|
0.4
|
9
|
15
|
237.45
|
6
|
|
|
Ampeloside Bs1
|
935.10
|
-1.2
|
12
|
20
|
316.6
|
9
|
|
|
Ampeloside Bf1
|
1115.20
|
-3.7
|
17
|
26
|
426.98
|
16
|
|
|
Ampeloside Bf2
|
953.10
|
-2.2
|
14
|
21
|
347.83
|
13
|
|
|
3,5-Dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
|
530.50
|
3
|
6
|
11
|
179.28
|
7
|
|
|
6-[2-[[4,4,6a,6b,8a,11,14b-Heptamethyl-14-oxo-11-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
|
985.10
|
1.9
|
11
|
21
|
346.19
|
10
|
|
|
Licoricesaponin A3
|
985.10
|
1.9
|
11
|
21
|
346.19
|
10
|
|
|
6-[6-Carboxy-2-[(11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,14a-dodecahydropicen-3-yl)oxy]-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
|
806.90
|
4.5
|
8
|
15
|
249.97
|
7
|
|
|
6-[(9-Acetyloxy-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl)oxy]-5-[6-carboxy-4,5-dihydroxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid
|
1013.10
|
2.9
|
10
|
21
|
335.19
|
11
|
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