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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP031375

(1S,3aS,7R,7aS)-1-[[2-(4-hydroxyphenyl)acetyl]oxymethyl]-7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,3a,6,7,7a-hexahydro-1H-indene-4-carboxylic acid

Formula: C25H32O11  |  Mol. Weight: 508.50 g/mol

IUPAC: (1S,3aS,7R,7aS)-1-[[2-(4-hydroxyphenyl)acetyl]oxymethyl]-7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,3a,6,7,7a-hexahydro-1H-indene-4-carboxylic acid

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Overview

Molecular Formula C25H32O11
Molecular Weight 508.50 g/mol
Canonical SMILES C1CC2C(C1COC(=O)CC3=CC=C(C=C3)O)C(CC=C2C(=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