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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP006562

Rha(a1-3)[Glc(b1-6)][coumaroyl(3-OH)(-4)]Glc(b)-O-EtPh

Formula: C35H46O18  |  Mol. Weight: 754.70 g/mol

IUPAC: [(2R,3R,4R,5R,6R)-5-hydroxy-6-(2-phenylethoxy)-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

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Overview

Molecular Formula C35H46O18
Molecular Weight 754.70 g/mol
Canonical SMILES CC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)C=CC3=CC(=C(C=C3)O)O)COC4C(C(C(C(O4)CO)O)O)O)OCCC5=CC=CC=C5)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy