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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP003241

[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl] 4-hydroxybenzoate

Formula: C32H30O13  |  Mol. Weight: 622.60 g/mol

IUPAC: [(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl] 4-hydroxybenzoate

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Overview

Molecular Formula C32H30O13
Molecular Weight 622.60 g/mol
Canonical SMILES COC1=C(C=CC(=C1)C=CC(=O)OC2C(C(C(OC2OC(=O)C3=CC=C(C=C3)O)COC(=O)C=CC4=CC=C(C=C4)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy