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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP030514

[(2R,3R,4S,4aS,10bS)-3,8,9,10-tetrahydroxy-2-(hydroxymethyl)-6-oxo-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-4-yl] 3,4,5-trihydroxybenzoate

Formula: C20H18O13  |  Mol. Weight: 466.30 g/mol

IUPAC: [(2R,3R,4S,4aS,10bS)-3,8,9,10-tetrahydroxy-2-(hydroxymethyl)-6-oxo-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-4-yl] 3,4,5-trihydroxybenzoate

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Overview

Molecular Formula C20H18O13
Molecular Weight 466.30 g/mol
Canonical SMILES C1=C(C=C(C(=C1O)O)O)C(=O)OC2C(C(OC3C2OC(=O)C4=CC(=C(C(=C34)O)O)O)CO)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy