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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP006084

1,2,2'-Triferuloylgentiobiose

Formula: C42H46O20  |  Mol. Weight: 870.80 g/mol

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

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Overview

Molecular Formula C42H46O20
Molecular Weight 870.80 g/mol
Canonical SMILES COC1=C(C=CC(=C1)C=CC(=O)OC2C(C(C(OC2OCC3C(C(C(C(O3)OC(=O)C=CC4=CC(=C(C=C4)O)OC)OC(=O)C=CC5=CC(=C(C=C5)O)OC)O)O)CO)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy