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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP002660

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

Formula: C23H28O12  |  Mol. Weight: 496.50 g/mol

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

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Overview

Molecular Formula C23H28O12
Molecular Weight 496.50 g/mol
Canonical SMILES CC1C(CC2C1C(OC=C2C(=O)O)OC3C(C(C(C(O3)CO)O)O)O)OC(=O)C4=CC(=CC=C4)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy