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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP011142

[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

Formula: C20H26O13  |  Mol. Weight: 474.40 g/mol

IUPAC: [(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

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Overview

Molecular Formula C20H26O13
Molecular Weight 474.40 g/mol
Canonical SMILES C1C(C(C(O1)OCC2C(C(C(C(O2)OC(=O)C=CC3=CC(=C(C=C3)O)O)O)O)O)O)(CO)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy