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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP022031

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

Formula: C21H20O13  |  Mol. Weight: 480.40 g/mol

IUPAC: [(2R,3R,4S,4aS,10bS)-3,8,10-trihydroxy-2-(hydroxymethyl)-9-methoxy-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 C21H20O13
Molecular Weight 480.40 g/mol
Canonical SMILES COC1=C(C=C2C(=C1O)C3C(C(C(C(O3)CO)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC2=O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy