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Substance Name: Hexandraside C
RN: 137218-01-0
InChIKey: OKXOYLXOYZRYCB-UHFFFAOYSA-N

Note

  • From Vancouveria hexandra.

Molecular Formula

  • C43-H56-O24

Molecular Weight

  • 956.8914
 
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Names and Synonyms

Name of Substance

  • Hexandraside C

Synonym

  • Des-O-methyl-anhydroicaritin 3-O-xylopyranosyl(1-2)-rhamnopyranoside-7-O-glucopyranosyl(1-2)-glucopyranoside

Systematic Name

  • 4H-1-Benzopyran-4-one, 3-((6-deoxy-2-O-beta-D-xylopyranosyl-alpha-L-mannopyranosyl)oxy)-7-((2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-8-(3-methyl-2-butenyl)-

Registry Numbers

CAS Registry Number

  • 137218-01-0

System Generated Number

  • 0137218010

Structure Descriptors

InChI

InChI=1S/C43H56O24/c1-14(2)4-9-18-20(60-43-38(30(54)26(50)22(13-45)62-43)65-40-32(56)27(51)25(49)21(12-44)61-40)11-10-19-24(48)36(34(63-35(18)19)16-5-7-17(46)8-6-16)64-42-37(29(53)23(47)15(3)59-42)66-41-33(57)28(52)31(55)39(58)67-41/h4-8,10-11,15,21-23,25-33,37-47,49-58H,9,12-13H2,1-3H3

InChIKey

OKXOYLXOYZRYCB-UHFFFAOYSA-N

Smiles

CC1OC(OC2=C(Oc3c(CC=C(C)C)c(OC4OC(CO)C(O)C(O)C4OC5OC(CO)C(O)C(O)C5O)ccc3C2=O)c6ccc(O)cc6)C(OC7OC(O)C(O)C(O)C7O)C(O)C1O