Simplexoside

Molecular Formula: C₂₆H₃₀O₁₁

InChI: InChI=1/C26H30O11/c1-31-18-6-12(3-5-17(18)36-26-23(30)22(29)21(28)20(8-27)37-26)24-14-9-33-25(15(14)10-32-24)13-2-4-16-19(7-13)35-11-34-16/h2-7,14-15,20-30H,8-11H2,1H3/t14-,15-,20+,21+,22-,23+,24+,25+,26+/m0/s1

InChIKey: InChIKey=USVLFVSHBLNSOC-WMYFGKAIBJ
SMILES: COC1=C(C=CC(=C1)C2C3COC(C3CO2)C4=CC5=C(C=C4)OCO5)OC6C(C(C(C(O6)CO)O)O)O

Names:
    C10885
    Simplexoside
    (2S,3R,4S,5S,6R)-2-[4-[(1S,4S,5S,8S)-4-benzo[1,3]dioxol-5-yl-3,7-dioxabicyclo[3.3.0]oct-8-yl]-2-methoxy-phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
    74061-78-2

Registries:
    PubChem CID 443020
    PubChem ID 13068