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    Lantanoside

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    2D Structure
    Also known as: Lantanoside, Chebi:184542, Lmpk12111157, [(3s,4s,6s)-3,4,5-trihydroxy-6-[5-hydroxy-6-methoxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methyl acetate
    Molecular Formula
    C25H26O12
    Molecular Weight
    518.5  g/mol
    InChI Key
    FHBWUJAADRENKL-YYBMTHDGSA-N
    lantanoside is a natural product found in Lantana strigocamara with data available.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [(3S,4S,6S)-3,4,5-trihydroxy-6-[5-hydroxy-6-methoxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methyl acetate
    2.1.2 InChI
    InChI=1S/C25H26O12/c1-11(26)34-10-18-20(28)22(30)23(31)25(37-18)36-17-9-16-19(21(29)24(17)33-3)14(27)8-15(35-16)12-4-6-13(32-2)7-5-12/h4-9,18,20,22-23,25,28-31H,10H2,1-3H3/t18?,20-,22+,23?,25-/m1/s1
    2.1.3 InChI Key
    FHBWUJAADRENKL-YYBMTHDGSA-N
    2.1.4 Canonical SMILES
    CC(=O)OCC1C(C(C(C(O1)OC2=C(C(=C3C(=C2)OC(=CC3=O)C4=CC=C(C=C4)OC)O)OC)O)O)O
    2.1.5 Isomeric SMILES
    CC(=O)OCC1[C@H]([C@@H](C([C@@H](O1)OC2=C(C(=C3C(=C2)OC(=CC3=O)C4=CC=C(C=C4)OC)O)OC)O)O)O
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. Lantanoside

    2.2.2 Depositor-Supplied Synonyms

    1. Lantanoside

    2. Chebi:184542

    3. Lmpk12111157

    4. [(3s,4s,6s)-3,4,5-trihydroxy-6-[5-hydroxy-6-methoxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methyl Acetate

    2.3 Create Date
    2009-11-16
    3 Chemical and Physical Properties
    Molecular Weight 518.5 g/mol
    Molecular Formula C25H26O12
    XLogP31.2
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count12
    Rotatable Bond Count8
    Exact Mass518.14242626 g/mol
    Monoisotopic Mass518.14242626 g/mol
    Topological Polar Surface Area170 Ų
    Heavy Atom Count37
    Formal Charge0
    Complexity840
    Isotope Atom Count0
    Defined Atom Stereocenter Count3
    Undefined Atom Stereocenter Count2
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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