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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP037627

(2S,3R,4S)-4-(carboxymethyl)-3-ethenyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylic acid

Formula: C25H28O13  |  Mol. Weight: 536.50 g/mol

IUPAC: (2S,3R,4S)-4-(carboxymethyl)-3-ethenyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylic acid

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Overview

Molecular Formula C25H28O13
Molecular Weight 536.50 g/mol
Canonical SMILES C=CC1C(C(=COC1OC2C(C(C(C(O2)COC(=O)C=CC3=CC=C(C=C3)O)O)O)O)C(=O)O)CC(=O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy