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Substance Name: Brachyposide B
RN: 1198082-87-9
InChIKey: RKJINRNUBWMUAP-MUODCDDXSA-N

Note

  • From the stem bark of Acanthopanax brachypus.

Molecular Formula

  • C70-H112-O38

Molecular Weight

  • 1561.6168
 
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Names and Synonyms

Results Name

  • Brachyposide B

Synonym

  • Brachyposide B

Systematic Name

  • beta-D-Glucopyranosiduronic acid,(2beta,3beta,4alpha)-28-((O-D-apio-beta-D-furanosyl-(1-3)-O-(beta-D-xylopyranosyl-(1-4))-O-6-deoxy-alpha-L-mannopyranosyl-(1-3)-beta-D-glucopyranosyl)oxy)-2,23-dihydroxy-28-oxoolean-12-en-3-yl O-beta-D-glucopyranosyl-(1-3)-O-beta-D-galactopyranosyl-(1-3)-

Registry Numbers

CAS Registry Number

  • 1198082-87-9

System Generated Number

  • 1198082879

Structure Descriptors

InChI

1S/C70H112O38/c1-25-47(101-56-44(87)35(78)29(77)21-95-56)48(102-62-53(90)70(94,23-75)24-96-62)46(89)58(97-25)105-51-41(84)38(81)32(20-73)100-60(51)108-63(93)69-14-12-64(2,3)16-27(69)26-8-9-34-65(4)17-28(76)54(66(5,22-74)33(65)10-11-68(34,7)67(26,6)13-15-69)107-61-52(43(86)42(85)49(103-61)55(91)92)106-59-50(40(83)37(80)31(19-72)99-59)104-57-45(88)39(82)36(79)30(18-71)98-57/h8,25,27-54,56-62,71-90,94H,9-24H2,1-7H3,(H,91,92)/t25-,27-,28-,29+,30+,31+,32+,33+,34+,35-,36+,37-,38+,39-,40-,41-,42-,43-,44+,45+,46+,47-,48-,49-,50+,51+,52+,53-,54-,56-,57-,58-,59-,60-,61-,62-,65-,66-,67+,68+,69-,70+/m0/s1

InChIKey

RKJINRNUBWMUAP-MUODCDDXSA-N

Smiles

C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2OC(=O)[C@]34CCC(C)(C)C[C@H]3C5=CC[C@@H]6[C@@]7(C)C[C@H](O)[C@H](O[C@@H]8O[C@@H]([C@@H](O)[C@H](O)[C@H]8O[C@@H]9O[C@H](CO)[C@H](O)[C@H](O)[C@H]9O[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10O)C(=O)O)[C@@](C)(CO)[C@@H]7CC[C@@]6(C)[C@]5(C)CC4)[C@H](O)[C@H](O[C@@H]%11OC[C@](O)(CO)[C@H]%11O)[C@H]1O[C@@H]%12OC[C@@H](O)[C@H](O)[C@H]%12O