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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP003595

8-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-1,2,6-trihydroxyxanthen-9-one

Formula: C25H28O16  |  Mol. Weight: 584.50 g/mol

IUPAC: 8-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-1,2,6-trihydroxyxanthen-9-one

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Overview

Molecular Formula C25H28O16
Molecular Weight 584.50 g/mol
Canonical SMILES C1=CC2=C(C(=C1O)O)C(=O)C3=C(O2)C=C(C=C3OC4C(C(C(C(O4)CO)O)OC5C(C(C(C(O5)CO)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy