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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP033886

methyl (1S,4aS,5S,6S,7R,7aS)-7-acetyloxy-5,6-dihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate

Formula: C19H28O13  |  Mol. Weight: 464.40 g/mol

IUPAC: methyl (1S,4aS,5S,6S,7R,7aS)-7-acetyloxy-5,6-dihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate

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Overview

Molecular Formula C19H28O13
Molecular Weight 464.40 g/mol
Canonical SMILES CC(=O)OC1(C2C(C(C1O)O)C(=COC2OC3C(C(C(C(O3)CO)O)O)O)C(=O)OC)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy