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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP006480

[(2S,3R,4R,5S,6S)-5-hydroxy-2-[8-hydroxy-2,7-dimethoxy-9-oxo-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyxanthen-3-yl]oxy-6-methyl-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] acetate

Formula: C35H44O21  |  Mol. Weight: 800.70 g/mol

IUPAC: [(2S,3R,4R,5S,6S)-5-hydroxy-2-[8-hydroxy-2,7-dimethoxy-9-oxo-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyxanthen-3-yl]oxy-6-methyl-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] acetate

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Overview

Molecular Formula C35H44O21
Molecular Weight 800.70 g/mol
Canonical SMILES CC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)C)OC3=C(C=C4C(=C3)OC5=CC(=C(C(=C5C4=O)O)OC)OC6C(C(C(C(O6)CO)O)O)O)OC)C)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy