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Substance Name: Brandioside
RN: 133393-81-4
InChIKey: RIHCCESRYIALPG-RMKNXTFCSA-N

Note

  • From Brandisia hancei.

Molecular Weight

  • 812.7662
 
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Names and Synonyms

Name of Substance

  • Brandioside

Synonyms

  • (beta-(3',4'-Dihydroxyphenyl)ethyl)-(2-O-acetyl)-(3,6-O-di-alpha-L-rhamnopyransoyl)-(4-O-caffeoyl)-beta-D-glucopyranoside
  • 2'-O-Acetylpoliumoside

Systematic Name

  • beta-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)ethyl O-6-deoxy-alpha-L-mannopyranosyl-(1-3)-O-(6-deoxy-alpha-L-mannopyranosyl-(1-6))-, 2-acetate 4-(3-(3,4-dihydroxyphenyl)-2-propenoate), (E)-

Registry Numbers

CAS Registry Number

  • 133393-81-4

System Generated Number

  • 0133393814

Structure Descriptors

InChI

1S/C37H48O20/c1-15-26(44)28(46)30(48)35(52-15)51-14-24-32(56-25(43)9-6-18-4-7-20(39)22(41)12-18)33(57-36-31(49)29(47)27(45)16(2)53-36)34(54-17(3)38)37(55-24)50-11-10-19-5-8-21(40)23(42)13-19/h4-9,12-13,15-16,24,26-37,39-42,44-49H,10-11,14H2,1-3H3/b9-6+

InChIKey

RIHCCESRYIALPG-RMKNXTFCSA-N

Smiles

CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OCCc3ccc(c(c3)O)O)OC(=O)C)OC4C(C(C(C(O4)C)O)O)O)OC(=O)/C=C/c5ccc(c(c5)O)O)O)O)O