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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP005759

(2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2R)-4-[(1R)-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]butan-2-yl]oxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

Formula: C25H40O13  |  Mol. Weight: 548.60 g/mol

IUPAC: (2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2R)-4-[(1R)-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]butan-2-yl]oxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

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Overview

Molecular Formula C25H40O13
Molecular Weight 548.60 g/mol
Canonical SMILES CC1=CC(=O)CC(C1CCC(C)OC2C(C(C(C(O2)CO)O)O)OC3C(C(C(C(O3)C(=O)O)O)O)O)(C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy