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19alpha-hydroxyasiatic acid-28-O-beta-D-glucopyrannoside

Go to external page http://purl.obolibrary.org/obo/CHEBI_67917

A triterpenoid saponin that is 19alpha-hydroxyasiatic acid attached to a beta-D-glucopyranosyl residue at position 28 via a glycosidic linkage. It has been isolated from the leaves of Rosa laevigata.

Term info

Label

19alpha-hydroxyasiatic acid-28-O-beta-D-glucopyrannoside

Synonyms
  • 1-O-[(2alpha,3beta)-2,3,19,23-tetrahydroxy-28-oxours-12-en-28-yl]-beta-D-glucopyranose
database cross reference
Subsets

3_STAR

IUPAC NAME
1-O-[(2alpha,3beta)-2,3,19,23-tetrahydroxy-28-oxours-12-en-28-yl]-beta-D-glucopyranose [ IUPAC ]

charge

0

formula

C36H58O11

has obo namespace

chebi_ontology

has related synonym

nigaichigoside F1

id

CHEBI:67917

inchi

InChI=1S/C36H58O11/c1-18-9-12-36(30(44)47-29-26(42)25(41)24(40)21(16-37)46-29)14-13-33(4)19(27(36)35(18,6)45)7-8-23-31(2)15-20(39)28(43)32(3,17-38)22(31)10-11-34(23,33)5/h7,18,20-29,37-43,45H,8-17H2,1-6H3/t18-,20-,21-,22-,23-,24-,25+,26-,27-,28+,29+,31+,32+,33-,34-,35-,36+/m1/s1

inchikey

WKKBYJLXSKPKSC-JVJIQXRHSA-N

mass

666.83910

monoisotopicmass

666.39791

smiles

C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2[C@]1(C)O)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O