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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP039165

(1S,4aS,5R,7aS)-7-(methylsulfanylcarbonyloxymethyl)-1,5-bis[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid

Formula: C24H34O17S  |  Mol. Weight: 626.60 g/mol

IUPAC: (1S,4aS,5R,7aS)-7-(methylsulfanylcarbonyloxymethyl)-1,5-bis[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid

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Overview

Molecular Formula C24H34O17S
Molecular Weight 626.60 g/mol
Canonical SMILES CSC(=O)OCC1=CC(C2C1C(OC=C2C(=O)O)OC3C(C(C(C(O3)CO)O)O)O)OC4C(C(C(C(O4)CO)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy