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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP029472

Chrysophanol 1-triglucoside

Formula: C33H40O19  |  Mol. Weight: 740.70 g/mol

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

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Overview

Molecular Formula C33H40O19
Molecular Weight 740.70 g/mol
Canonical SMILES CC1=CC2=C(C(=C1)OC3C(C(C(C(O3)COC4C(C(C(C(O4)CO)O)OC5C(C(C(C(O5)CO)O)O)O)O)O)O)O)C(=O)C6=C(C2=O)C=CC=C6O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy