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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP022613

CID 12821233

Formula: C42H40O19  |  Mol. Weight: 848.80 g/mol

IUPAC: 4-hydroxy-9-[4-hydroxy-2-(hydroxymethyl)-10-oxo-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracen-9-yl]-10-oxo-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracene-2-carboxylic acid

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Overview

Molecular Formula C42H40O19
Molecular Weight 848.80 g/mol
Canonical SMILES C1=CC2=C(C(=C1)OC3C(C(C(C(O3)CO)O)O)O)C(=O)C4=C(C2C5C6=C(C(=CC=C6)OC7C(C(C(C(O7)CO)O)O)O)C(=O)C8=C5C=C(C=C8O)C(=O)O)C=C(C=C4O)CO

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy