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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP034552

2-[(1R,2R)-3-oxo-2-[(Z)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxypent-2-enyl]cyclopentyl]acetic acid

Formula: C28H36O12  |  Mol. Weight: 564.60 g/mol

IUPAC: 2-[(1R,2R)-3-oxo-2-[(Z)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxypent-2-enyl]cyclopentyl]acetic acid

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Overview

Molecular Formula C28H36O12
Molecular Weight 564.60 g/mol
Canonical SMILES COC1=C(C=CC(=C1)C=CC(=O)OCC2C(C(C(C(O2)OCCC=CCC3C(CCC3=O)CC(=O)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy