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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP036211

(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[3-methoxy-5-prop-2-enyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]oxane-3,4,5-triol

Formula: C22H32O13  |  Mol. Weight: 504.50 g/mol

IUPAC: (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[3-methoxy-5-prop-2-enyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]oxane-3,4,5-triol

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Overview

Molecular Formula C22H32O13
Molecular Weight 504.50 g/mol
Canonical SMILES COC1=C(C(=CC(=C1)CC=C)OC2C(C(C(C(O2)CO)O)O)O)OC3C(C(C(C(O3)CO)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy