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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP011800

(3S,4S)-3-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxan-2-yl]oxyoctanoic acid

Formula: C22H32O12  |  Mol. Weight: 488.50 g/mol

IUPAC: (3S,4S)-3-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxan-2-yl]oxyoctanoic acid

Overview

Molecular Formula C22H32O12
Molecular Weight 488.50 g/mol
Canonical SMILES CCCCC(C(C)CC(=O)O)OC1C(C(C(C(O1)COC(=O)C2=CC(=C(C(=C2)O)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy