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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP008801

[(2R,3S,4S,5R,6S)-3,5-diacetyloxy-6-[4-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-2,3-dihydroxyphenoxy]-4-hydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate

Formula: C34H32O15  |  Mol. Weight: 680.60 g/mol

IUPAC: [(2R,3S,4S,5R,6S)-3,5-diacetyloxy-6-[4-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-2,3-dihydroxyphenoxy]-4-hydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate

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Overview

Molecular Formula C34H32O15
Molecular Weight 680.60 g/mol
Canonical SMILES CC(=O)OC1C(OC(C(C1O)OC(=O)C)OC2=C(C(=C(C=C2)C(=O)C=CC3=CC(=C(C=C3)O)O)O)O)COC(=O)C=CC4=CC=C(C=C4)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy