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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP012400

[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate

Formula: C23H28O13  |  Mol. Weight: 512.50 g/mol

IUPAC: [(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate

Overview

Molecular Formula C23H28O13
Molecular Weight 512.50 g/mol
Canonical SMILES COC1=C(C=CC(=C1)CC(CO)OC2C(C(C(C(O2)COC(=O)C3=CC(=C(C(=C3)O)O)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy