glucodigitoxigenin 3-O-β-D-quinovoside

Chemical Formula:

C₃₅H₅₄O₁₃

Molecular Weight:

682.804 Daltons

Monoisotopic Mass:

682.804 Daltons

InChI:

1S/C35H54O13/c1-16-30(48-32-28(41)26(39)25(38)23(14-36)47-32)27(40)29(42)31(45-16)46-19-6-9-33(2)18(13-19)4-5-22-21(33)7-10-34(3)20(8-11-35(22,34)43)17-12-24(37)44-15-17/h12,16,18-23,25-32,36,38-43H,4-11,13-15H2,1-3H3/t16-,18-,19+,20-,21+,22-,23-,25-,26+,27-,28-,29-,30-,31+,32+,33+,34-,35+/m1/s1

InChIKey:

OQZGLOBKVNEEPK-KRGNJTNXSA-N

Databases

PubChem (CID): 100930938

MetaCyc: CPD-22592