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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP004716

[(2R,3S,4R,5R,6S)-6-[(9S)-4,5-dihydroxy-2-(hydroxymethyl)-10-oxo-9H-anthracen-9-yl]-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate

Formula: C30H28O11  |  Mol. Weight: 564.50 g/mol

IUPAC: [(2R,3S,4R,5R,6S)-6-[(9S)-4,5-dihydroxy-2-(hydroxymethyl)-10-oxo-9H-anthracen-9-yl]-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate

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Overview

Molecular Formula C30H28O11
Molecular Weight 564.50 g/mol
Canonical SMILES C1=CC2=C(C(=C1)O)C(=O)C3=C(C2C4C(C(C(C(O4)COC(=O)C=CC5=CC=C(C=C5)O)O)O)O)C=C(C=C3O)CO

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy