Salvianin

Molecular Formula: C₄₂H₄₁O₂₄⁺

InChI: InChI=1/C42H40O24/c43-19-5-3-18(4-6-19)39-26(63-41-37(57)36(56)34(54)27(64-41)15-59-31(51)8-2-17-1-7-22(45)23(46)9-17)12-21-24(61-39)10-20(44)11-25(21)62-42-38(58)40(66-33(53)14-30(49)50)35(55)28(65-42)16-60-32(52)13-29(47)48/h1-12,27-28,34-38,40-42,54-58H,13-16H2,(H5-,43,44,45,46,47,48,49,50,51)/p+1/t27-,28-,34-,35-,36+,37-,38-,40+,41-,42-/m1/s1/fC42H41O24/h43-47,49H/q+1/b8-2+

InChIKey: InChIKey=ZQALFNWMWHIYQA-KZZOZPBWDE
SMILES: C1=CC(=CC=C1C2=C(C=C3C(=CC(=CC3=[O+]2)O)OC4C(C(C(C(O4)COC(=O)CC(=O)O)O)OC(=O)CC(=O)O)O)OC5C(C(C(C(O5)COC(=O)C=CC6=CC(=C(C=C6)O)O)O)O)O)O

Names:
    C12647
    Salvianin
    3-[(2R,3R,4S,5R,6S)-2-[(2-carboxyacetyl)oxymethyl]-6-[3-[(2S,3R,4S,5S,6R)-6-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxymethyl]-3,4,5-trihydroxy-oxan-2-yl]oxy-7-hydroxy-2-(4-hydroxyphenyl)chromen-5-yl]oxy-3,5-dihydroxy-oxan-4-yl]oxy-3-oxo-propanoic acid

Registries:
    PubChem CID 5282163
    PubChem ID 583037