Chebulagic acid

Molecular Formula: C41H30O27


InChI: InChI=1/C41H30O27/c42-13-1-8(2-14(43)24(13)49)35(56)68-41-34-33-31(64-39(60)12(6-19(47)48)22-23-11(38(59)67-34)5-17(46)27(52)32(23)65-40(61)30(22)55)18(63-41)7-62-36(57)9-3-15(44)25(50)28(53)20(9)21-10(37(58)66-33)4-16(45)26(51)29(21)54/h1-5,12,18,22,30-31,33-34,41-46,49-55H,6-7H2,(H,47,48)/f/h47H

InChIKey: InChIKey=HGJXAVROWQLCTP-SSTUQHAPCK
SMILES: C1C2C3C(C(C(O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C6=C5C(C(C(=O)O3)CC(=O)O)C(C(=O)O6)O)O)O)OC(=O)C7=CC(=C(C(=C7C8=C(C(=C(C=C8C(=O)O1)O)O)O)O)O)O

Names:
    Chebulagic acid
    NSC69863
    .beta.-D-Glucopyranose, cyclic 2.fwdarw.5:4.fwdarw.1-ester with (5-carboxy-3,4-dihydro-3,7, 8-trihydroxy-2-oxo-2H-1-benzopyran-4-yl)butanedioic acid, cyclic 3,3-(4,4',5,5',6,6'-hexahydroxy[1,1'-biphenyl]-2, 2'-dicarboxylate) 1-(3,4,5-trihydroxybenzoate)

Registries:
    PubChem CID 250397
    PubChem ID 113465