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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP005378

1-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,8-dihydroxy-6-methylanthracene-9,10-dione

Formula: C27H30O15  |  Mol. Weight: 594.50 g/mol

IUPAC: 1-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,8-dihydroxy-6-methylanthracene-9,10-dione

Overview

Molecular Formula C27H30O15
Molecular Weight 594.50 g/mol
Canonical SMILES CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3OC4C(C(C(C(O4)CO)O)O)OC5C(C(C(C(O5)CO)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy