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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP003799

5-(((2R,3S,4S,5R,6S)-3,4-Dihydroxy-6-(5-hydroxy-2-(4-hydroxyphenyl)-4-oxochroman-7-yl)-5-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)methoxy)-3-hydroxy-3-methyl-5-oxopentanoic Acid

Formula: C33H40O17  |  Mol. Weight: 708.70 g/mol

IUPAC: 5-[[(2R,3S,4S,5R,6S)-3,4-dihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-7-yl]-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methoxy]-3-hydroxy-3-methyl-5-oxopentanoic acid

Overview

Molecular Formula C33H40O17
Molecular Weight 708.70 g/mol
Canonical SMILES CC1C(C(C(C(O1)OC2C(C(C(OC2C3=CC(=C4C(=O)CC(OC4=C3)C5=CC=C(C=C5)O)O)COC(=O)CC(C)(CC(=O)O)O)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy