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Substance Name: Yiyeliangwanoside I
RN: 135272-49-0
InChIKey: FXNTUAWTJJIORK-PBPSADCISA-N

Note

  • Isolated from the bark of Nothopanax davidii.

Molecular Formula

  • C57-H88-O25

Molecular Weight

  • 1173.2972
 
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Names and Synonyms

Name of Substance

  • Yiyeliangwanoside I

Systematic Name

  • Olean-12-ene-28,29-dioic acid, 3-((3,4-di-O-acetyl-alpha-L-arabinopyranosyl)oxy)-, 28-(O-6-deoxy-alpha-L-mannopyranosyl-(1-6)-O-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranosyl) ester, (3beta,20alpha)-

Registry Numbers

CAS Registry Number

  • 135272-49-0

System Generated Number

  • 0135272490

Structure Descriptors

InChI

1S/C57H88O25/c1-24-35(62)38(65)40(67)47(74-24)80-44-37(64)30(22-59)78-49(45(44)81-48-41(68)39(66)36(63)29(21-58)77-48)82-51(72)57-18-16-53(6,50(70)71)20-28(57)27-10-11-33-54(7)14-13-34(52(4,5)32(54)12-15-56(33,9)55(27,8)17-19-57)79-46-42(69)43(76-26(3)61)31(23-73-46)75-25(2)60/h10,24,28-49,58-59,62-69H,11-23H2,1-9H3,(H,70,71)/t24-,28+,29+,30+,31-,32?,33+,34-,35-,36+,37+,38+,39-,40+,41+,42+,43-,44-,45+,46-,47-,48+,49+,53?,54-,55+,56+,57-/m0/s1

InChIKey

FXNTUAWTJJIORK-PBPSADCISA-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]2O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)OC(=O)[C@@]45CC[C@@]6(C(=CC[C@H]7[C@]6(CCC8[C@@]7(CC[C@@H](C8(C)C)O[C@H]9[C@@H]([C@H]([C@H](CO9)OC(=O)C)OC(=O)C)O)C)C)[C@H]4CC(CC5)(C)C(=O)O)C)CO)O)O)O)O