2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-[(O-β-D-xylopyranosyl-(1→6)-O-β-D-glucopyranosyl-(1→2)-O-[β-D-xylopyranosyl-(1→4)]-6-deoxy-α-L-mannopyranosyl)oxy]-4H-1-benzopyran-4-one

CAS Registry Number®

496066-90-1

CAS Name

2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-[(O-β-D-xylopyranosyl-(1→6)-O-β-D-glucopyranosyl-(1→2)-O-[β-D-xylopyranosyl-(1→4)]-6-deoxy-α-L-mannopyranosyl)oxy]-4H-1-benzopyran-4-one

Molecular Formula

C37H46O24

Molecular Mass

874.75

Cite this Page

2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-[(O-β-D-xylopyranosyl-(1→6)-O-β-D-glucopyranosyl-(1→2)-O-[β-D-xylopyranosyl-(1→4)]-6-deoxy-α-L-mannopyranosyl)oxy]-4H-1-benzopyran-4-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=496066-90-1 (retrieved 2024-11-13) (CAS RN: 496066-90-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C37H46O24/c1-10-30(59-35-27(50)22(45)17(43)8-54-35)29(52)33(61-36-28(51)25(48)23(46)19(58-36)9-55-34-26(49)21(44)16(42)7-53-34)37(56-10)60-32-24(47)20-15(41)5-12(38)6-18(20)57-31(32)11-2-3-13(39)14(40)4-11/h2-6,10,16-17,19,21-23,25-30,33-46,48-52H,7-9H2,1H3/t10-,16+,17+,19+,21-,22-,23+,25-,26+,27+,28+,29+,30-,33+,34-,35-,36-,37-/m0/s1

InChIKey

InChIKey=QXIJGBONMUSOEG-YQGCXHMISA-N

SMILES

O(C1=C(OC=2C(C1=O)=C(O)C=C(O)C2)C3=CC(O)=C(O)C=C3)[C@H]4[C@H](O[C@@H]5O[C@H](CO[C@H]6[C@H](O)[C@@H](O)[C@H](O)CO6)[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@H](O)CO7)[C@H](C)O4

Canonical SMILES

O=C1C(OC2OC(C)C(OC3OCC(O)C(O)C3O)C(O)C2OC4OC(COC5OCC(O)C(O)C5O)C(O)C(O)C4O)=C(OC=6C=C(O)C=C(O)C16)C=7C=CC(O)=C(O)C7

Other Names for this Substance

  • 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(O-β-D-xylopyranosyl-(1→6)-O-β-D-glucopyranosyl-(1→2)-O-[β-D-xylopyranosyl-(1→4)]-6-deoxy-α-L-mannopyranosyl)oxy]-
  • 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-[(O-β-D-xylopyranosyl-(1→6)-O-β-D-glucopyranosyl-(1→2)-O-[β-D-xylopyranosyl-(1→4)]-6-deoxy-α-L-mannopyranosyl)oxy]-4H-1-benzopyran-4-one
  • Helieianeoside C

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