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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP012424

[(2R,3S,4S,5R,6R)-6-[(3S)-1,7-bis(3,4-dihydroxyphenyl)-5-oxoheptan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 4-hydroxy-3-methoxybenzoate

Formula: C33H38O14  |  Mol. Weight: 658.60 g/mol

IUPAC: [(2R,3S,4S,5R,6R)-6-[(3S)-1,7-bis(3,4-dihydroxyphenyl)-5-oxoheptan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 4-hydroxy-3-methoxybenzoate

Overview

Molecular Formula C33H38O14
Molecular Weight 658.60 g/mol
Canonical SMILES COC1=C(C=CC(=C1)C(=O)OCC2C(C(C(C(O2)OC(CCC3=CC(=C(C=C3)O)O)CC(=O)CCC4=CC(=C(C=C4)O)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy