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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP025827

Ruscin

Formula: C44H68O17  |  Mol. Weight: 869.00 g/mol

IUPAC: (2R,3S,4R,5R,6S)-2-[(2R,3S,4S,5R,6R)-2-[(2S,3R,5S)-4,5-dihydroxy-2-[(1R,4R,6S,7R,8S,9R,13S,14S,16R)-14-hydroxy-7,9,13-trimethyl-5'-methylidenespiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

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Overview

Molecular Formula C44H68O17
Molecular Weight 869.00 g/mol
Canonical SMILES CC1C2C(CC3C2(CCC4C3CC=C5C4(C(CC(C5)OC6C(C(C(CO6)O)O)OC7C(C(C(C(O7)C)O)OC8C(C(C(C(O8)CO)O)O)O)O)O)C)C)OC19CCC(=C)CO9

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy