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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP019170

1-O-Gentiobiosyl-3,7-dimethoxy-8-hydroxyxanthone

Formula: C27H32O16  |  Mol. Weight: 612.50 g/mol

IUPAC: 1-hydroxy-2,6-dimethoxy-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyxanthen-9-one

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Overview

Molecular Formula C27H32O16
Molecular Weight 612.50 g/mol
Canonical SMILES COC1=C(C2=C(C=C1)OC3=C(C2=O)C(=CC(=C3)OC)OC4C(C(C(C(O4)COC5C(C(C(C(O5)CO)O)O)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy