Quercetin-3-O-(2''-O-galloyl)-β-D-glucopyranoside - CAS 69624-79-9

Quercetin-3-O-(2''-O-galloyl)-β-D-glucopyranoside is a flavonoid glycoside isolated from the Geranium species.

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Molecular Formula
C28H24O16
Molecular Weight
616.48

Quercetin-3-O-(2''-O-galloyl)-β-D-glucopyranoside

    • Specification
      • IUPAC Name
        [(2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 3,4,5-trihydroxybenzoate
        Synonyms
        Quercetin-3-O-(2''-O-galloyl)-beta-D-glucopyranoside; Quercetin-3-O-(2''-O-galloyl)-b-D-glucopyranoside
    • Properties
      • InChI Key
        PXGWEUQZDRUMRE-KQOASZHBSA-N
        InChI
        InChI=1S/C28H24O16/c29-8-18-21(37)23(39)26(43-27(40)10-4-15(34)20(36)16(35)5-10)28(42-18)44-25-22(38)19-14(33)6-11(30)7-17(19)41-24(25)9-1-2-12(31)13(32)3-9/h1-7,18,21,23,26,28-37,39H,8H2/t18-,21-,23+,26-,28+/m1/s1
        Canonical 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)OC(=O)C5=CC(=C(C(=C5)O)O)O)O)O
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