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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP006006

(4aR,6R,7S,8S,8aR)-2-(3,4-dihydroxyphenyl)-3-[3-(3,4-dihydroxyphenyl)prop-2-ynyl]-6-(hydroxymethyl)-3,4a,6,7,8,8a-hexahydro-2H-pyrano[2,3-b][1,4]dioxine-7,8-diol

Formula: C23H24O10  |  Mol. Weight: 460.40 g/mol

IUPAC: (4aR,6R,7S,8S,8aR)-2-(3,4-dihydroxyphenyl)-3-[3-(3,4-dihydroxyphenyl)prop-2-ynyl]-6-(hydroxymethyl)-3,4a,6,7,8,8a-hexahydro-2H-pyrano[2,3-b][1,4]dioxine-7,8-diol

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Overview

Molecular Formula C23H24O10
Molecular Weight 460.40 g/mol
Canonical SMILES C1=CC(=C(C=C1C#CCC2C(OC3C(C(C(OC3O2)CO)O)O)C4=CC(=C(C=C4)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy