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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP025694

(4E,5S)-5-(2-hydroxyethyl)-3-methyl-4-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethylidene]-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclopent-2-en-1-one

Formula: C21H32O13  |  Mol. Weight: 492.50 g/mol

IUPAC: (4E,5S)-5-(2-hydroxyethyl)-3-methyl-4-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethylidene]-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclopent-2-en-1-one

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Overview

Molecular Formula C21H32O13
Molecular Weight 492.50 g/mol
Canonical SMILES CC1C(C(C(C(O1)OC2(C(=O)C=C(C2=COC3C(C(C(C(O3)CO)O)O)O)C)CCO)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy