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Ys-II

Go to external page http://purl.obolibrary.org/obo/CHEBI_66497

A spirostanyl glycoside that is smilagenin attached to a beta-D-glucopyranosyl-(1->2)-beta-D-galactopyranosyl residue at position 3 via a glycosidic linkage. Isolated from Yucca gloriosa and Yucca guatemalensis, it exhibits antifungal activity.

Term info

Label

Ys-II

Synonyms
  • (3beta,5beta,25R)-spirostan-3-yl 2-O-beta-D-glucopyranosyl-beta-D-galactopyranoside
database cross reference
Subsets

3_STAR

IUPAC NAME
(3beta,5beta,25R)-spirostan-3-yl 2-O-beta-D-glucopyranosyl-beta-D-galactopyranoside [ IUPAC ]

charge

0

formula

C39H64O13

has obo namespace

chebi_ontology

has related synonym

smilagenin 3-O-beta-D-glucopyranosyl-(1->2)-beta-D-galactopyranoside

id

CHEBI:66497

inchi

InChI=1S/C39H64O13/c1-18-7-12-39(47-17-18)19(2)28-25(52-39)14-24-22-6-5-20-13-21(8-10-37(20,3)23(22)9-11-38(24,28)4)48-36-34(32(45)30(43)27(16-41)50-36)51-35-33(46)31(44)29(42)26(15-40)49-35/h18-36,40-46H,5-17H2,1-4H3/t18-,19+,20-,21+,22-,23+,24+,25+,26-,27-,28+,29-,30+,31+,32+,33-,34-,35+,36-,37+,38+,39-/m1/s1

inchikey

MMTWXUQMLQGAPC-KQRWKONWSA-N

mass

740.91770

monoisotopicmass

740.43469

smiles

[H][C@]12CC[C@]3([H])[C@]([H])(CC[C@@]4(C)[C@@]3([H])C[C@]3([H])O[C@]5(CC[C@@H](C)CO5)[C@@H](C)[C@]43[H])[C@@]1(C)CC[C@@H](C2)O[C@]1([H])O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O[C@]1([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O