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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP036022

Tuberoside F

Formula: C52H86O23  |  Mol. Weight: 1079.20 g/mol

IUPAC: 2-[4-hydroxy-6-[[(6Z)-15-hydroxy-7-methoxy-7,9,13-trimethyl-6-[3-methyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutylidene]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-16-yl]oxy]-2-(hydroxymethyl)-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol

Overview

Molecular Formula C52H86O23
Molecular Weight 1079.20 g/mol
Canonical SMILES CC1C(C(C(C(O1)OC2C(OC(C(C2O)OC3C(C(C(C(O3)C)O)O)O)OC4CC5CCC6C(C5(CC4O)C)CCC7(C6CC8C7C(C(=CCC(C)COC9C(C(C(C(O9)CO)O)O)O)O8)(C)OC)C)CO)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy