Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Macrostemonoside D
RN: 143049-27-8
InChIKey: DYIQIQXTTUXBQD-DZYXBILISA-N

Note

  • From Allium macrostemon Bung.

Molecular Weight

  • 1107.24
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Macrostemonoside D

Synonym

  • Tigogenin 3-O-beta-D-glucopyranosyl(1-2)(beta-D-glucopyranosyl(1-3)(6-O-acetyl-beta-D-glucopyranosyl))(1-4)-beta-D-galactopyranoside

Systematic Name

  • beta-D-Galactopyranoside, (3beta,5alpha,25R)-spirostan-3-yl O-beta-D-glucopyranosyl-(1-2)-O-(beta-D-glucopyranosyl-(1-3))-O-6-O-acetyl-beta-D-glucopyranosyl-(1-4)-

Registry Numbers

CAS Registry Number

  • 143049-27-8

System Generated Number

  • 0143049278

Structure Descriptors

InChI

1S/C53H86O24/c1-21-8-13-52(69-19-21)22(2)34-29(75-52)15-28-26-7-6-24-14-25(9-11-50(24,4)27(26)10-12-51(28,34)5)53(77-49-44(67)41(64)37(60)33(72-49)20-68-23(3)57)46(74-48-43(66)40(63)36(59)31(17-55)71-48)45(38(61)32(18-56)76-53)73-47-42(65)39(62)35(58)30(16-54)70-47/h21-22,24-49,54-56,58-67H,6-20H2,1-5H3/t21-,22+,24?,25?,26?,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+/m1/s1

InChIKey

DYIQIQXTTUXBQD-DZYXBILISA-N

Smiles

O([C@]1([C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@H](O2)CO)[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@H](O2)CO)[C@@H](O)[C@@H](O1)CO)[C@@H]1CC[C@@]2([C@@H]3CC[C@@]4([C@@H]5[C@H](C[C@@H]4[C@@H]3CC[C@@H]2C1)O[C@@]1([C@H]5C)OC[C@@H](CC1)C)C)C)[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O1)COC(=O)C