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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP002695

(1S,4aS,5R,7R,7aS)-5,7-dihydroxy-7-(hydroxymethyl)-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-carboxylic acid

Formula: C16H24O12  |  Mol. Weight: 408.35 g/mol

IUPAC: (1S,4aS,5R,7R,7aS)-5,7-dihydroxy-7-(hydroxymethyl)-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-carboxylic acid

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Overview

Molecular Formula C16H24O12
Molecular Weight 408.35 g/mol
Canonical SMILES C1C(C2C(C1(CO)O)C(OC=C2C(=O)O)OC3C(C(C(C(O3)CO)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy