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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP015310

(1S,4aS,7R,7aS)-7-hydroxy-7-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,7a-dihydro-1H-cyclopenta[c]pyran-4-carboxylic acid

Formula: C26H30O14  |  Mol. Weight: 566.50 g/mol

IUPAC: (1S,4aS,7R,7aS)-7-hydroxy-7-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,7a-dihydro-1H-cyclopenta[c]pyran-4-carboxylic acid

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Overview

Molecular Formula C26H30O14
Molecular Weight 566.50 g/mol
Canonical SMILES COC1=C(C=CC(=C1)C=CC(=O)OCC2(C=CC3C2C(OC=C3C(=O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy