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Substance Name: Echinacoside
RN: 82854-37-3
UNII: I04O1DT48T
InChIKey: FSBUXLDOLNLABB-ISAKITKMSA-N

Note

  • From Buddleja species; has antihepatotoxic activity.

Molecular Formula

  • C35-H40-O20

Molecular Weight

  • 786.7284
 

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product
  • Reproductive Effect
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Names and Synonyms

Name of Substance

  • Echinacoside

Synonyms

  • Echinacoside
  • UNII-I04O1DT48T

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 82854-37-3

FDA UNII

  • I04O1DT48T

System Generated Number

  • 0082854373

Structure Descriptors

InChI

1S/C35H46O20/c1-14-24(42)26(44)29(47)35(51-14)55-32-30(48)34(49-9-8-16-3-6-18(38)20(40)11-16)53-22(13-50-33-28(46)27(45)25(43)21(12-36)52-33)31(32)54-23(41)7-4-15-2-5-17(37)19(39)10-15/h2-7,10-11,14,21-22,24-40,42-48H,8-9,12-13H2,1H3/b7-4+/t14-,21+,22+,24-,25+,26+,27-,28+,29+,30+,31+,32+,33+,34+,35-/m0/s1

InChIKey

FSBUXLDOLNLABB-ISAKITKMSA-N

Smiles

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2OC(=O)/C=C/c3ccc(c(c3)O)O)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)OCCc5ccc(c(c5)O)O)O)O)O)O