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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP001238

[(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-[(E)-3-phenylprop-2-enoxy]-2-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl] benzoate

Formula: C28H34O11  |  Mol. Weight: 546.60 g/mol

IUPAC: [(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-[(E)-3-phenylprop-2-enoxy]-2-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl] benzoate

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Overview

Molecular Formula C28H34O11
Molecular Weight 546.60 g/mol
Canonical SMILES CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OCC=CC3=CC=CC=C3)O)O)OC(=O)C4=CC=CC=C4)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy