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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP000945

[(2R,3S,4S,5R,6S)-4-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-methyl-4-[(Z)-2-methylbut-2-enoyl]oxyoxan-2-yl]oxy-6-(2-hydroxy-3-methyl-6-propan-2-ylphenoxy)-2-methyl-5-[(Z)-2-methylbut-2-enoyl]oxyoxan-3-yl] (Z)-2-methylbut-2-enoate

Formula: C37H52O13  |  Mol. Weight: 704.80 g/mol

IUPAC: [(2R,3S,4S,5R,6S)-4-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-methyl-4-[(Z)-2-methylbut-2-enoyl]oxyoxan-2-yl]oxy-6-(2-hydroxy-3-methyl-6-propan-2-ylphenoxy)-2-methyl-5-[(Z)-2-methylbut-2-enoyl]oxyoxan-3-yl] (Z)-2-methylbut-2-enoate

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Overview

Molecular Formula C37H52O13
Molecular Weight 704.80 g/mol
Canonical SMILES CC=C(C)C(=O)OC1C(OC(C(C1OC2C(C(C(C(O2)C)O)OC(=O)C(=CC)C)O)OC(=O)C(=CC)C)OC3=C(C=CC(=C3O)C)C(C)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy