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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP016765

Andrographatoside

Formula: C26H42O9  |  Mol. Weight: 498.60 g/mol

IUPAC: [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,4aS,5R,8aS)-5-[(Z)-5-hydroxy-3-(hydroxymethyl)pent-3-enyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylate

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Overview

Molecular Formula C26H42O9
Molecular Weight 498.60 g/mol
Canonical SMILES CC12CCCC(C1CCC(=C)C2CCC(=CCO)CO)(C)C(=O)OC3C(C(C(C(O3)CO)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy