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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP037171

Macarangioside A

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

IUPAC: [(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2R)-4-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]butan-2-yl]oxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate

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Overview

Molecular Formula C26H36O12
Molecular Weight 540.60 g/mol
Canonical SMILES CC1=CC(=O)CC(C1(CCC(C)OC2C(C(C(C(O2)COC(=O)C3=CC(=C(C(=C3)O)O)O)O)O)O)O)(C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy