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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP005998

[(2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

Formula: C30H38O16  |  Mol. Weight: 654.60 g/mol

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

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Overview

Molecular Formula C30H38O16
Molecular Weight 654.60 g/mol
Canonical SMILES COC1=C(C=CC(=C1)C=CC(=O)OC2C(OC(C(C2OC3C(C(C(C(O3)CO)O)O)O)O)OCCC4=CC(=C(C=C4)O)O)CO)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy