Quercetin 3-O-Sambubioside

3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one

Also Known As: Quercetin 3-O-Sambubioside|Quercetin 3-sambubioside|quercetin-3-sambubioside|Quercetin 3-xyloglucoside|quercetin-3-O-sambubioside|HY-N8028|2 -O-D-Xylopyranosylhyperin|TN2340|Quercetin 3-O-[beta-D-xylosyl-(1->2)-beta-D-glucoside]|Quercetin 3-O-beta-xylopyranosyl-(1-2)-O-beta-glucopyranoside|3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one|B2703-334729|Quercetin 3-O-[beta-D-xylosyl-(1 2)-beta-D-glucoside]|Quercetin 3-O-beta-D-glucopyranosyl(2-1)-O-beta-D-xylopyranoside|4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-((2-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-|3 ,4 ,5,7-Tetrahydroxy-3-[(2-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy]flavone|3-(2-O-beta-D-Xylopyranosyl-beta-D-glucopyranosyloxy)-3 ,4 ,5,7-tetrahydroxyflavone|3-[(2-O-beta-D-Xylopyranosyl-beta-D-glucopyranosyl)oxy]-3 ,4 ,5,7-tetrahydroxyflavone|quercetin 3-O-[|A-D-xylosyl-(1 inverted exclamation marku2)-|A-D-glucoside]|2-(3,4-Dihydroxyphenyl)-3-[2-O-(beta-D-xylopyranosyl)-beta-D-glucopyranosyloxy]-5,7-dihydroxy-4H-1-benzopyran-4-one|2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-((2-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-4H-1-benzopyran-4-one|2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-[(2-O-|A-D-xylopyranosyl-|A-D-glucopyranosyl)oxy]-4H-1-benzopyran-4-one|2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl 2-O-beta-D-xylopyranosyl-beta-D-glucopyranoside|2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 2-O-beta-D-xylopyranosyl-beta-D-glucopyranoside|3-((2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-((2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl)oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one|3-((2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-((2S,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl)oxy-tetrahydropyran-2-yl)oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chromen-4-one|3-[(2-O-beta-D-Xylopyranosyl-beta-D-glucopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one|3-[(2-O-beta-D-Xylopyranosyl-beta-D-glucopyranosyl)oxy]-3 ,4 ,5,7-tetrahydroxy-flavone|3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chromen-4-one|3-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one|5,7-Dihydroxy-2-(3,4-dihydroxyphenyl)-3-(2-O-beta-D-xylopyranosyl-beta-D-glucopyranosyloxy)-4H-1-benzopyran-4-one

Molecular Formula	C26H28O16
Molecular Weight	596.13776 g/mol
LogP	-2.0756
Topological Polar Surface Area	269.43 Ų
Hydrogen Bond Donors	10
Hydrogen Bond Acceptors	16
Rotatable Bonds	6
Exact Mass	596.13776
Monoisotopic Mass	596.13776
Heavy Atoms	42
Complexity	1505.883

Chemical Identifiers

CAS Number	83048-35-5
SMILES	C1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)CO)O)O)O)O)O