Formula: C47H50O26

MW: 1030.9

MDL: MFCD02940832

TNP:

RUTINE

LogP: 4.29

LogS: -6.59

Acceptors: 26

Donors: 0

Rotation Bonds: 26

Chiral Centers: 10

N+O: 26

LIPINSKY: 2

IUPAC: 4,5-diacetyloxy-2-[5,7-diacetyloxy-2-(3,4-diacetyloxyphenyl)-4-oxochromen-3-yl oxy]-6-[(3,4,5-triacetyloxy-6-methyl(2H-3,4,5,6-tetrahydropyran-2-yloxy))methy l]-2H-3,4,5,6-tetrahydropyran-3-yl acetate

Smiles: c12c(cc(cc1oc(c(c2=O)OC1C(C(C(C(O1)COC1C(C(C(C(O1)C)OC(=O)C)OC(C)=O)OC(=O)C)OC(C)=O)OC(C)=O)OC(C)=O)c1ccc(c(c1)OC(=O)C)OC(=O)C)OC(C)=O)OC(C)=O

Specification: RUTINE

RUTINE Usage And Synthesis RUTINE

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Chemical Compounds - Natural Compounds