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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP009764

3-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxypentanedioic acid

Formula: C21H26O12  |  Mol. Weight: 470.40 g/mol

IUPAC: 3-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxypentanedioic acid

Overview

Molecular Formula C21H26O12
Molecular Weight 470.40 g/mol
Canonical SMILES CC(CC(=O)O)(CC(=O)O)OC1C(C(C(C(O1)COC(=O)C=CC2=CC=C(C=C2)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy