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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP001105

3-[(2R,3R,4aR,6R,7S,8S)-2-(3,4-dihydroxyphenyl)-7,8-dihydroxy-6-(hydroxymethyl)-3,4a,6,7,8,8a-hexahydro-2H-pyrano[2,3-b][1,4]dioxin-3-yl]-1-(3,4-dihydroxyphenyl)propan-1-one

Formula: C23H26O11  |  Mol. Weight: 478.40 g/mol

IUPAC: 3-[(2R,3R,4aR,6R,7S,8S)-2-(3,4-dihydroxyphenyl)-7,8-dihydroxy-6-(hydroxymethyl)-3,4a,6,7,8,8a-hexahydro-2H-pyrano[2,3-b][1,4]dioxin-3-yl]-1-(3,4-dihydroxyphenyl)propan-1-one

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Overview

Molecular Formula C23H26O11
Molecular Weight 478.40 g/mol
Canonical SMILES C1=CC(=C(C=C1C2C(OC3C(O2)C(C(C(O3)CO)O)O)CCC(=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