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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP023682

2-Feruloyl-1-sinapoylgentiobiose

Formula: C33H40O18  |  Mol. Weight: 724.70 g/mol

IUPAC: [4,5-dihydroxy-2-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

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Overview

Molecular Formula C33H40O18
Molecular Weight 724.70 g/mol
Canonical SMILES COC1=CC(=CC(=C1O)OC)C=CC(=O)OC2C(C(C(C(O2)COC3C(C(C(C(O3)CO)O)O)O)O)O)OC(=O)C=CC4=CC(=C(C=C4)O)OC

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy