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Substance Name: Asparoside C
RN: 83946-27-4
InChIKey: GIZZBNSMEBLASA-UHFFFAOYSA-N

Molecular Formula

  • C57-H96-O27

Molecular Weight

  • 1213.36
 
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Names and Synonyms

Results Name

  • Asparoside C

Synonym

  • Asparoside C

Systematic Name

  • beta-D-Glucopyranoside, (3beta,5beta,22alpha,25S)-26-(beta-D-glucopyranosyloxy)-22-methoxyfurostan-3-yl O-alpha-L-arabinopyranosyl-(1-4)-O-(6-deoxy-alpha-L-mannopyranosyl-(1-6))-O-(beta-D-glucopyranosyl-(1-2))-

Registry Numbers

CAS Registry Number

  • 83946-27-4

System Generated Number

  • 0083946274

Structure Descriptors

InChI

1S/C57H96O27/c1-22(19-74-51-45(70)41(66)38(63)32(17-58)79-51)9-14-57(73-6)23(2)35-31(84-57)16-29-27-8-7-25-15-26(10-12-55(25,4)28(27)11-13-56(29,35)5)78-54-49(83-53-46(71)42(67)39(64)33(18-59)80-53)47(72)48(82-52-43(68)37(62)30(60)20-75-52)34(81-54)21-76-50-44(69)40(65)36(61)24(3)77-50/h22-54,58-72H,7-21H2,1-6H3

InChIKey

GIZZBNSMEBLASA-UHFFFAOYSA-N

Smiles

O1[C@@H](CO)[C@@H](O)[C@@H]([C@@H](O)[C@@H]1OC[C@@H](CC[C@@]1(O[C@@H]2C[C@@H]3[C@@]([C@@H]2[C@@H]1C)(C)CC[C@@H]1[C@@]2([C@@H](CC[C@@H]31)C[C@@H](CC2)O[C@@H]1O[C@@H]([C@@H](O[C@@H]2[C@@H](O)[C@@H]([C@@H](CO2)O)O)[C@@H](O)[C@@H]1O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H]([C@@H]1O)O)CO[C@@H]1[C@@H]([C@@H]([C@@H]([C@@H](C)O1)O)O)O)C)OC)C)O