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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP031267

5,7-dihydroxy-2-[7-hydroxy-2-nonyl-3-[(E)-3-oxododec-1-enyl]-1-benzofuran-4-yl]-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one

Formula: C44H58O13  |  Mol. Weight: 794.90 g/mol

IUPAC: 5,7-dihydroxy-2-[7-hydroxy-2-nonyl-3-[(E)-3-oxododec-1-enyl]-1-benzofuran-4-yl]-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one

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Overview

Molecular Formula C44H58O13
Molecular Weight 794.90 g/mol
Canonical SMILES CCCCCCCCCC1=C(C2=C(C=CC(=C2O1)O)C3=C(C(=O)C4=C(C=C(C=C4O3)O)O)OC5C(C(C(C(O5)CO)O)O)O)C=CC(=O)CCCCCCCCC

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy