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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP024382

Degalloyltheaflavonin

Formula: C36H32O20  |  Mol. Weight: 784.60 g/mol

IUPAC: 5,7-dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[3,4,5-trihydroxy-2-[2,3,4-trihydroxy-6-(3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl)phenyl]phenyl]chromen-4-one

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Overview

Molecular Formula C36H32O20
Molecular Weight 784.60 g/mol
Canonical SMILES C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3C4=C(C(=C(C=C4C5=C(C(=O)C6=C(C=C(C=C6O5)O)O)OC7C(C(C(C(O7)CO)O)O)O)O)O)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy