Quercetin-3-O-sophoroside

Datasheet MSDS
Catalog Number
ANC00027
Product Name
Quercetin-3-O-sophoroside
Structure
Quercetin-3-O-sophoroside
CAS Number
18609-17-1
IUPAC Name
3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
Synonyms
quercetin-3-O-sophoroside; BaiMaside; 1)-beta-D-glucoside; Quercetin3-beta-D-sophoroside; Quercetin3-beta-sophoroside; Quercetin-3-O-beta-D-glucosyl-(2→; Quercetin-3-O-beta-D-glucosyl-(2-1)-beta-D-glucoside; 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl2-O-β-D-glucopyranosyl-β-D-glucopyranoside
Molecular Formula
C27H30O17
Molecular Weight
626.5
Appearance
Powder
Purity
>98%
Density
1.89±0.1g/cm3 (Predicted)
Melting Point
198-200°C
Boiling Point
1037.2±65.0°C (Predicted)
Description
Quercetin 3-beta-sophoroside was isolated from the flowers of A. venetum and is A scavenger of superoxide anions.
SMILES
C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O
InChI
InChI=1S/C27H30O17/c28-6-14-17(34)20(37)22(39)26(41-14)44-25-21(38)18(35)15(7-29)42-27(25)43-24-19(36)16-12(33)4-9(30)5-13(16)40-23(24)8-1-2-10(31)11(32)3-8/h1-5,14-15,17-18,20-22,25-35,37-39H,6-7H2/t14-,15-,17-,18-,20+,21+,22-,25-,26+,27+/m1/s1
InChI Key
RDUAJIJVNHKTQC-UJECXLDQSA-N
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