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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP012710

[(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 benzoate

Formula: C32H36O12  |  Mol. Weight: 612.60 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 benzoate

Overview

Molecular Formula C32H36O12
Molecular Weight 612.60 g/mol
Canonical SMILES C1=CC=C(C=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

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy