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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP019225

Inerminoside A

Formula: C31H48O16  |  Mol. Weight: 676.70 g/mol

IUPAC: (1S,7S)-1-[3-[(2R,4R)-3,4-dihydroxy-4-[[(E)-8-hydroxy-2,6-dimethyloct-2-enoyl]oxymethyl]oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-hydroxy-7-methyl-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid

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Overview

Molecular Formula C31H48O16
Molecular Weight 676.70 g/mol
Canonical SMILES CC(CCC=C(C)C(=O)OCC1(COC(C1O)OC2C(C(C(OC2OC3C4C(CCC4(C)O)C(=CO3)C(=O)O)CO)O)O)O)CCO

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy