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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP003707

3-O-Feruloyl-6 inverted exclamation marka-O-(4-O-|A-D-glucopyranosylferuloyl)sucrose

Formula: C38H48O22  |  Mol. Weight: 856.80 g/mol

IUPAC: [(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2S,3S,4R,5R)-4-hydroxy-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxyoxan-2-yl]methyl (E)-3-[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoate

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Overview

Molecular Formula C38H48O22
Molecular Weight 856.80 g/mol
Canonical SMILES COC1=C(C=CC(=C1)C=CC(=O)OC2C(C(OC2(CO)OC3C(C(C(C(O3)COC(=O)C=CC4=CC(=C(C=C4)OC5C(C(C(C(O5)CO)O)O)O)OC)O)O)O)CO)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy