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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP017942

[(2R,3S,4S,5R,6R)-6-[[(3aS,6R,7aR)-2-oxo-3a,6,7,7a-tetrahydro-3H-1-benzofuran-6-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate

Formula: C21H24O12  |  Mol. Weight: 468.40 g/mol

IUPAC: [(2R,3S,4S,5R,6R)-6-[[(3aS,6R,7aR)-2-oxo-3a,6,7,7a-tetrahydro-3H-1-benzofuran-6-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate

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Overview

Molecular Formula C21H24O12
Molecular Weight 468.40 g/mol
Canonical SMILES C1C(C=CC2C1OC(=O)C2)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