Formula: C42H38O20

MW: 862.75

CAS: 128-57-4

MDL: MFCD01109111

TNP: TNP00589

LogP: 3.2

LogS: -4.35

Acceptors: 20

Donors: 12

Rotation Bonds: 11

Chiral Centers: 12

N+O: 20

LIPINSKY: 1

Info: IIsolation from Tinnevelly Senna

IUPAC: (9R)-9-{(9S)-5-[(2S,4S,5S,3R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)(2H-3,4,5,6 -tetrahydropyran-2-yloxy)]-2-carboxy-4-hydroxy-10-oxo(9-9-hydroanthryl)}-5-[(2 S,4S,5S,3R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)(2H-3,4,5,6-tetrahydropyran-2 -yloxy)]-4-hydroxy-10-oxo-9-hydroanthracene-2-carboxylic acid

Smiles: c12C(c3c(O[C@H]4[C@@H]([C@@H](O)[C@@H]([C@H](O4)CO)O)O)cccc3[C@@H]([C@H]3(c4c(c(cc(c4)C(=O)O)O)C(c4c3cccc4O[C@H]3[C@@H]([C@@H](O)[C@@H]([C@H](O3)CO)O)O)=O))(c1cc(cc2O)C(=O)O))=O

THERAPEUTIC CATEGORY: Cathartic

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Chemical Compounds - Natural Compounds