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Substance Name: Pedicularioside A
RN: 135010-61-6
InChIKey: DBGPKDZQZSWQHV-ZOOOYETHSA-N

Note

  • From Pedicularis striata.

Molecular Formula

  • C34-H44-O19

Molecular Weight

  • 756.7026
 
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Names and Synonyms

Name of Substance

  • Pedicularioside A

Synonym

  • 1-O-beta-(3,4-Dihydroxy-beta-phenyl)ethyl-4'-caffeoyl-beta-apiosyl(1-3')-alpha-rhamnosyl(1-6')glucopyranoside

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 135010-61-6

System Generated Number

  • 0135010616

Structure Descriptors

InChI

1S/C34H44O19/c1-15-24(41)25(42)26(43)31(50-15)48-12-22-28(52-23(40)7-4-16-2-5-18(36)20(38)10-16)29(53-33-30(45)34(46,13-35)14-49-33)27(44)32(51-22)47-9-8-17-3-6-19(37)21(39)11-17/h2-7,10-11,15,22,24-33,35-39,41-46H,8-9,12-14H2,1H3/b7-4+/t15-,22+,24-,25+,26+,27+,28+,29+,30-,31+,32+,33-,34+/m0/s1

InChIKey

DBGPKDZQZSWQHV-ZOOOYETHSA-N

Smiles

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OCCc3ccc(c(c3)O)O)O)O[C@H]4[C@@H]([C@](CO4)(CO)O)O)OC(=O)/C=C/c5ccc(c(c5)O)O)O)O)O