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A1EGW

Summary
Name:Quercetin 3-O-xyloside
Formula:C20 H18 O11
Formal charge:0
Formula weight:434.35 Da
Component type:D-saccharide

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.72-[3,4-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)-3-[(2~{S},3~{R},4~{S},5~{R})-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-chromen-4-one

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C20H18O11/c21-8-4-11(24)14-13(5-8)30-18(7-1-2-9(22)10(23)3-7)19(16(14)27)31-20-17(28)15(26)12(25)6-29-20/h1-5,12,15,17,20-26,28H,6H2/t12-,15+,17-,20+/m1/s1
InChIKeyInChI1.06PZZRDJXEMZMZFD-BWYUNELBSA-N
SMILES_CANONICALCACTVS3.385O[C@@H]1CO[C@@H](OC2=C(Oc3cc(O)cc(O)c3C2=O)c4ccc(O)c(O)c4)[C@H](O)[C@H]1O
SMILESCACTVS3.385O[CH]1CO[CH](OC2=C(Oc3cc(O)cc(O)c3C2=O)c4ccc(O)c(O)c4)[CH](O)[CH]1O
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H](CO4)O)O)O)O)O
SMILESOpenEye OEToolkits2.0.7c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)OC4C(C(C(CO4)O)O)O)O)O

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PDB entries from 2026-01-14

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