Cyanidin 3,5,3'-tri-O-glucoside

Molecular Formula: C33H41O21+


InChI: InChI=1/C33H40O21/c34-7-18-21(39)24(42)27(45)31(52-18)49-15-5-11(37)4-14-12(15)6-17(51-33-29(47)26(44)23(41)20(9-36)54-33)30(48-14)10-1-2-13(38)16(3-10)50-32-28(46)25(43)22(40)19(8-35)53-32/h1-6,18-29,31-36,39-47H,7-9H2,(H-,37,38)/p+1/t18-,19-,20-,21-,22-,23-,24+,25+,26+,27-,28-,29-,31-,32-,33-/m1/s1/fC33H41O21/h37-38H/q+1

InChIKey: InChIKey=ZOEXTKFPTHFWDY-RTMQWETBDN
SMILES: C1=CC(=C(C=C1C2=C(C=C3C(=CC(=CC3=[O+]2)O)OC4C(C(C(C(O4)CO)O)O)O)OC5C(C(C(C(O5)CO)O)O)O)OC6C(C(C(C(O6)CO)O)O)O)O

Names:
    Cyanidin 3,5,3'-tri-O-glucoside
    C08629
    (2S,3R,4S,5S,6R)-2-[7-hydroxy-2-[4-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-phenyl]-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
    88110-66-1

Registries:
    PubChem CID 441681
    PubChem ID 10822