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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP015313

Dehydromethoxygaertneroside

Formula: C27H28O14  |  Mol. Weight: 576.50 g/mol

IUPAC: methyl (1S,4aS,7R,7aS)-4'-(4-hydroxy-3-methoxybenzoyl)-5'-oxo-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[4a,7a-dihydro-1H-cyclopenta[c]pyran-7,2'-furan]-4-carboxylate

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Overview

Molecular Formula C27H28O14
Molecular Weight 576.50 g/mol
Canonical SMILES COC1=C(C=CC(=C1)C(=O)C2=CC3(C=CC4C3C(OC=C4C(=O)OC)OC5C(C(C(C(O5)CO)O)O)O)OC2=O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy