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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP009925

2,4,4-trimethyl-3-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]cyclohex-2-en-1-one

Formula: C22H36O12  |  Mol. Weight: 492.50 g/mol

IUPAC: 2,4,4-trimethyl-3-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]cyclohex-2-en-1-one

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Overview

Molecular Formula C22H36O12
Molecular Weight 492.50 g/mol
Canonical SMILES CC1=C(C(CCC1=O)(C)C)COC2C(C(C(C(O2)COC3C(C(C(C(O3)CO)O)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy