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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Cistanoside G
|
446.40
|
-1.5
|
7
|
11
|
178.53
|
7
|
|
|
[(2R,3R,4S,5R,6R)-2-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4R,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]oxyoxan-3-yl] acetate
|
506.50
|
-2.3
|
8
|
14
|
225.06
|
9
|
|
|
(2S,3R,4S,5S,6R)-2-[4-[1,3-Dihydroxy-2-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]propyl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
568.60
|
-0.4
|
7
|
13
|
196.99
|
13
|
|
|
[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2S,3S,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)-3-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxyoxolan-2-yl]oxyoxan-2-yl]methyl benzoate
|
666.60
|
-0.2
|
6
|
16
|
229.36
|
15
|
|
|
Xyl(b1-6)Glc(b)-O-EtPh(4-OH)
|
432.40
|
-2.5
|
7
|
11
|
178.53
|
7
|
|
|
5-hydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxy-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,3-dihydrochromen-4-one
|
478.40
|
0.2
|
6
|
11
|
175.37
|
5
|
|
|
8-[(2S,3R,4S,5S,6R)-3-[(2S,3R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-5-hydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxy-2,3-dihydrochromen-4-one
|
610.60
|
-1
|
8
|
15
|
234.29
|
8
|
|
|
Delphinidin 3-glucoside 5-(6''-malonylglucoside)
|
713.60
|
|
12
|
19
|
334.35
|
11
|
|
|
3-[[(2R,3S,4S,5R,6S)-6-[3-[(2S,3R,4S,5S,6R)-6-[(2-carboxyacetyl)oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-7-hydroxy-2-(3,4,5-trihydroxyphenyl)chromenylium-5-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid
|
799.60
|
|
12
|
22
|
377.72
|
15
|
|
|
Delphinidin 3-(6''-malonylglucoside) 5-glucoside
|
713.60
|
|
12
|
19
|
334.35
|
11
|
|
|
(1S,4S,7S,8R,11R,13S)-2,12-dimethyl-13-propan-2-yl-10-oxa-2-azatetracyclo[5.4.1.18,11.04,12]tridecan-9-one
|
263.37
|
3
|
0
|
3
|
29.54
|
1
|
|
|
2-Hydroxy-4-(2-propen-1-yl)phenyl 6-O-(6-deoxy-I+/--L-mannopyranosyl)-I(2)-D-glucopyranoside
|
458.50
|
-1.2
|
7
|
11
|
178.53
|
7
|
|
|
Calleryanin
|
302.28
|
-2.3
|
6
|
8
|
139.84
|
4
|
|
|
Linaroside
|
476.40
|
1.2
|
5
|
11
|
168.28
|
6
|
|
|
(2S,3R,4S,5S,6R)-2-[4-[(6S)-6-[3,5-dimethoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2,6-dimethoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
742.70
|
-1.4
|
8
|
18
|
254.14
|
12
|
|
|
[(2R,3S,4S,5R,6S)-6-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-[5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxochromen-6-yl]-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
|
784.70
|
0.7
|
9
|
18
|
284.73
|
12
|
|
|
[(2R,3R,4R,5R,6R)-2-[[(2R,3R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-4-[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
|
756.70
|
-1.7
|
11
|
19
|
304.21
|
14
|
|
|
Gallic acid 3-O-(6a(2)-O-galloyl)-I(2)-D-glucopyranoside
|
484.40
|
-0.8
|
9
|
14
|
243.9
|
7
|
|
|
3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxan-2-yl]oxybenzoic acid
|
484.40
|
-0.8
|
9
|
14
|
243.9
|
7
|
|
|
1-O-Gentiobiosyl-3,7-dimethoxy-8-hydroxyxanthone
|
612.50
|
-1.2
|
8
|
16
|
247.43
|
8
|
|
|
Glomeratose A
|
562.50
|
-1.7
|
7
|
15
|
223.29
|
12
|
|
|
[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2S,3S,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)-3-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxyoxolan-2-yl]oxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
|
708.70
|
-0.1
|
7
|
17
|
249.59
|
16
|
|
|
[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[5-methyl-4-oxo-2-(2-oxopropyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-8-yl]oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
|
702.70
|
-0.8
|
8
|
16
|
263.11
|
11
|
|
|
Chrysophanol tetraglucoside
|
902.80
|
-4.6
|
14
|
24
|
391.2
|
12
|
|
|
(2S,3R,4S,5S,6R)-2-[4-(1-hydroxyethyl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
300.30
|
-0.4
|
5
|
7
|
119.61
|
4
|
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