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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP011727

tricolorin B

Formula: C49H84O21  |  Mol. Weight: 1009.20 g/mol

IUPAC: [(2S,3R,4R,5S,6S)-6-methyl-5-(2-methylpropanoyloxy)-2-[[(1S,3R,4S,5R,6R,8R,10S,22S,23R,24R,26R)-4,5,23-trihydroxy-24-(hydroxymethyl)-6-methyl-20-oxo-10-pentyl-2,7,9,21,25-pentaoxatricyclo[20.3.1.03,8]hexacosan-26-yl]oxy]-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (2S)-2-methylbutanoate

Overview

Molecular Formula C49H84O21
Molecular Weight 1009.20 g/mol
Canonical SMILES CCCCCC1CCCCCCCCCC(=O)OC2C(C(OC(C2OC3C(C(C(C(O3)C)OC(=O)C(C)C)OC4C(C(C(C(O4)C)O)O)O)OC(=O)C(C)CC)OC5C(C(C(OC5O1)C)O)O)CO)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy