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Substance Name: Asiaticoside B
RN: 125265-68-1
UNII: 17E01H280E
InChIKey: NNWMHSNRRWMMBI-PJISEHJASA-N

Note

  • Cytotoxic cycloartane triterpene saponin from Actaea asiatica.

Molecular Formula

  • C48-H78-O20

Molecular Weight

  • 975.1242
 
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Names and Synonyms

Name of Substance

  • Asiaticoside B

Synonyms

  • Asiaticoside B
  • Olean-12-en-28-oic acid, 2,3,6,23-tetrahydroxy-, O-6-deoxy-alpha-L-mannopyranosyl-(1->4)-o-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranosyl ester, (2alpha,3beta,4alpha,6beta)-
  • Terminoloside
  • UNII-17E01H280E

Registry Numbers

CAS Registry Number

  • 125265-68-1

FDA UNII

  • 17E01H280E

System Generated Number

  • 0125265681

Structure Descriptors

InChI

1S/C48H78O20/c1-20-28(53)30(55)33(58)40(64-20)67-36-25(17-49)65-39(35(60)32(36)57)63-18-26-29(54)31(56)34(59)41(66-26)68-42(62)48-12-10-43(2,3)14-22(48)21-8-9-27-44(4)15-24(52)38(61)45(5,19-50)37(44)23(51)16-47(27,7)46(21,6)11-13-48/h8,20,22-41,49-61H,9-19H2,1-7H3/t20-,22-,23+,24+,25+,26+,27+,28-,29+,30+,31-,32+,33+,34+,35+,36+,37+,38-,39+,40-,41-,44+,45-,46+,47+,48-/m0/s1

InChIKey

NNWMHSNRRWMMBI-PJISEHJASA-N

Smiles

C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](OC(=O)[C@]45CCC(C)(C)C[C@H]4C6=CC[C@@H]7[C@@]8(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]8[C@H](O)C[C@@]7(C)[C@]6(C)CC5)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O