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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP002128

Tricin 4'-O-(erythro-beta-guaiacylglyceryl) ether 7-O-beta-D-glucopyranoside

Formula: C33H36O16  |  Mol. Weight: 688.60 g/mol

IUPAC: 2-[4-[(1R,2S)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3,5-dimethoxyphenyl]-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one

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Overview

Molecular Formula C33H36O16
Molecular Weight 688.60 g/mol
Canonical SMILES COC1=CC(=CC(=C1OC(CO)C(C2=CC(=C(C=C2)O)OC)O)OC)C3=CC(=O)C4=C(C=C(C=C4O3)OC5C(C(C(C(O5)CO)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy