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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP017000

Sessiloside

Formula: C48H76O18  |  Mol. Weight: 941.10 g/mol

IUPAC: 3-[(3S,4S,5R,8R,9R,10R,13S,14R,15R)-13-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxycarbonyl-4,9,10-trimethyl-3,15-bis(prop-1-en-2-yl)-2,3,5,6,7,8,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-4-yl]propanoic acid

Overview

Molecular Formula C48H76O18
Molecular Weight 941.10 g/mol
Canonical SMILES CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OCC3C(C(C(C(O3)OC(=O)C45CCC(C4C6CCC7C(C6(CC5)C)(CCC(C7(C)CCC(=O)O)C(=C)C)C)C(=C)C)O)O)O)CO)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy