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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP036172

Sinensal-alpha

Formula: C28H36O15  |  Mol. Weight: 612.60 g/mol

IUPAC: (2R)-7-hydroxy-2-(4-methoxyphenyl)-5-[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one;(2R,3S,4R,5S)-2-(hydroxymethyl)oxane-3,4,5-triol

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Overview

Molecular Formula C28H36O15
Molecular Weight 612.60 g/mol
Canonical SMILES COC1=CC=C(C=C1)C2CC(=O)C3=C(O2)C=C(C=C3OC4C(C(C(C(O4)CO)O)O)O)O.C1C(C(C(C(O1)CO)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy