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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP032603

(E)-3-[4-[(2S,3R,4S,5S,6R)-3-acetyloxy-4,5-dihydroxy-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxyphenyl]prop-2-enoic acid

Formula: C26H26O11  |  Mol. Weight: 514.50 g/mol

IUPAC: (E)-3-[4-[(2S,3R,4S,5S,6R)-3-acetyloxy-4,5-dihydroxy-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxyphenyl]prop-2-enoic acid

Overview

Molecular Formula C26H26O11
Molecular Weight 514.50 g/mol
Canonical SMILES CC(=O)OC1C(C(C(OC1OC2=CC=C(C=C2)C=CC(=O)O)COC(=O)C=CC3=CC=C(C=C3)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy