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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP038502

[2,3-dihydroxy-5-(3,5,7-trihydroxy-4-oxochromen-2-yl)phenyl] (E)-3-[4-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoate

Formula: C30H26O15  |  Mol. Weight: 626.50 g/mol

IUPAC: [2,3-dihydroxy-5-(3,5,7-trihydroxy-4-oxochromen-2-yl)phenyl] (E)-3-[4-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoate

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Overview

Molecular Formula C30H26O15
Molecular Weight 626.50 g/mol
Canonical SMILES C1=CC(=CC=C1C=CC(=O)OC2=CC(=CC(=C2O)O)C3=C(C(=O)C4=C(C=C(C=C4O3)O)O)O)OC5C(C(C(C(O5)CO)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy