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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP004606

[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(1S,2R,5R)-2-hydroxy-5-(2-hydroxyethyl)-3,4-bis(hydroxymethyl)cyclopent-3-en-1-yl]oxyoxan-2-yl]methyl 4-hydroxybenzoate

Formula: C22H30O12  |  Mol. Weight: 486.50 g/mol

IUPAC: [(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(1S,2R,5R)-2-hydroxy-5-(2-hydroxyethyl)-3,4-bis(hydroxymethyl)cyclopent-3-en-1-yl]oxyoxan-2-yl]methyl 4-hydroxybenzoate

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Overview

Molecular Formula C22H30O12
Molecular Weight 486.50 g/mol
Canonical SMILES C1=CC(=CC=C1C(=O)OCC2C(C(C(C(O2)OC3C(C(=C(C3O)CO)CO)CCO)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy