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Substance Name: Bretschnoside A
RN: 149496-96-8
InChIKey: MNDCQKILIJYVNV-UHFFFAOYSA-N

Note

  • Isolated from roots of Pterocephalus bretschneidri.

Molecular Formula

  • C64-H104-O29

Molecular Weight

  • 1337.4966
 
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Names and Synonyms

Name of Substance

  • Bretschnoside A

Synonym

  • 3-O-Rhamnopyranosyl(1-3)-xylopyranosyl(1-3)-rhamnopyranosyl(1-2)-xylopyranosyl oleanolic acid 28-O-glucopyranosyl(1-6)-glucopyranoside 4

Systematic Name

  • Olean-12-en-28-oic acid, 3-((O-6-deoxy-alpha-L-mannopyranosyl-(1-3)-O-beta-D-xylopyranosyl-(1-3)-O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-beta-D-xylopyranosyl)oxy)-, 6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl ester, (3beta)-

Registry Numbers

CAS Registry Number

  • 149496-96-8

System Generated Number

  • 0149496968

Structure Descriptors

InChI

1S/C64H104O29/c1-25-36(69)41(74)46(79)56(86-25)91-49-29(68)23-83-55(47(49)80)92-50-40(73)31(21-66)89-57(48(50)81)93-52-37(70)28(67)22-84-58(52)90-35-12-13-61(6)33(60(35,4)5)11-14-63(8)34(61)10-9-26-27-19-59(2,3)15-17-64(27,18-16-62(26,63)7)53(82)51-44(77)42(75)39(72)32(87-51)24-85-54-45(78)43(76)38(71)30(20-65)88-54/h9,25,27-52,54-58,65-81H,10-24H2,1-8H3

InChIKey

MNDCQKILIJYVNV-UHFFFAOYSA-N

Smiles

CC1OC(OC2C(O)COC(OC3C(O)C(CO)OC(OC4C(O)C(O)COC4OC5CCC6(C)C(CCC7(C)C6CC=C8C9CC(C)(C)CCC9(CCC78C)C(=O)C%10OC(COC%11OC(CO)C(O)C(O)C%11O)C(O)C(O)C%10O)C5(C)C)C3O)C2O)C(O)C(O)C1O