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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP031057

Emodin-1-O-beta-gentiobioside

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

IUPAC: 1,3-dihydroxy-6-methyl-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]oxyanthracene-9,10-dione

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Overview

Molecular Formula C27H30O15
Molecular Weight 594.50 g/mol
Canonical SMILES CC1=CC2=C(C(=C1)OC3C(C(C(C(O3)COC4C(C(C(C(O4)CO)O)O)O)O)O)O)C(=O)C5=C(C2=O)C=C(C=C5O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy