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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP003885

[(2R,3S,4S,5R,6R)-6-[(2R)-4-[(1S,5R,8R)-1,5-dimethyl-3-oxo-6-oxabicyclo[3.2.1]octan-8-yl]butan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate

Formula: C26H36O12  |  Mol. Weight: 540.60 g/mol

IUPAC: [(2R,3S,4S,5R,6R)-6-[(2R)-4-[(1S,5R,8R)-1,5-dimethyl-3-oxo-6-oxabicyclo[3.2.1]octan-8-yl]butan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate

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Overview

Molecular Formula C26H36O12
Molecular Weight 540.60 g/mol
Canonical SMILES CC(CCC1C2(CC(=O)CC1(OC2)C)C)OC3C(C(C(C(O3)COC(=O)C4=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