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Substance Name: Wistariasaponin G
RN: 136027-06-0
InChIKey: QVQBULODVHHPCZ-UHFFFAOYSA-N

Note

  • From Wisteria brachybotrys.

Molecular Formula

  • C49-H76-O20

Molecular Weight

  • 985.119
 
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Names and Synonyms

Name of Substance

  • Wistariasaponin G

Systematic Name

  • beta-D-Glucopyranosiduronic acid, (3beta,4beta,20beta,22beta)-22-(acetyloxy)-20-carboxy-23-hydroxy-30-norolean-12-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-O-beta-D-xylopyranosyl-(1-2)-

Registry Numbers

CAS Registry Number

  • 136027-06-0

System Generated Number

  • 0136027060

Structure Descriptors

InChI

1S/C49H76O20/c1-21-30(52)31(53)34(56)41(64-21)68-36-25(19-63-40(60)35(36)57)66-38-33(55)32(54)37(39(58)59)69-42(38)67-28-12-13-46(5)26(47(28,6)20-50)11-14-49(8)27(46)10-9-23-24-17-44(3,43(61)62)18-29(65-22(2)51)45(24,4)15-16-48(23,49)7/h9,21,24-38,40-42,50,52-57,60H,10-20H2,1-8H3,(H,58,59)(H,61,62)

InChIKey

QVQBULODVHHPCZ-UHFFFAOYSA-N

Smiles

O1[C@@H](O[C@@H]2[C@@H](CO[C@@H]([C@@H]2O)O)O[C@@H]2[C@@H]([C@@H]([C@@H](O[C@@H]2O[C@@H]2[C@@](C)([C@@H]3CC[C@@]4(C)[C@@]5(C)CC[C@@]6([C@@H](OC(C)=O)C[C@@](C[C@@H]6C5=CC[C@@H]4[C@@]3(CC2)C)(C)C(O)=O)C)CO)C(O)=O)O)O)[C@@H]([C@@H]([C@@H]([C@@H]1C)O)O)O