Description
prim-O-Glucosylangelicain is isolated from the roots of Cimicifuga foetida L.
Synonyms
(S)7-[(beta-D-Glucopyranosyloxy)methyl]-2,3-dihydro-4-hydroxy-2-(1-hydroxy-1-methylethyl)-5H-furo[3,2-g][1]benzopyran-5-one
IUPAC Name
4-hydroxy-2-(2-hydroxypropan-2-yl)-7-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2,3-dihydrofuro[3,2-g]chromen-5-one
Molecular Formula
C21H26O11
Canonical SMILES
CC(C)(C1CC2=C(O1)C=C3C(=C2O)C(=O)C=C(O3)COC4C(C(C(C(O4)CO)O)O)O)O
InChI
InChI=1S/C21H26O11/c1-21(2,28)14-4-9-11(31-14)5-12-15(16(9)24)10(23)3-8(30-12)7-29-20-19(27)18(26)17(25)13(6-22)32-20/h3,5,13-14,17-20,22,24-28H,4,6-7H2,1-2H3
InChIKey
YMKQLZWZRFMJBN-UHFFFAOYSA-N