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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP000627

[(2S,3R,4S,5R,6S)-4,5-dihydroxy-6-[(2S,3R,4R,5R,6S)-4-hydroxy-2-methyl-5-octanoyloxy-6-[[(1R,3S,5S,6R,7R,8R,20S,22R,24R,25S,26S)-7,25,26-trihydroxy-24-(hydroxymethyl)-5-methyl-10-oxo-20-pentyl-2,4,9,21,23-pentaoxatricyclo[20.4.0.03,8]hexacosan-6-yl]oxy]oxan-3-yl]oxy-2-methyloxan-3-yl] octanoate

Formula: C56H98O21  |  Mol. Weight: 1107.40 g/mol

IUPAC: [(2S,3R,4S,5R,6S)-4,5-dihydroxy-6-[(2S,3R,4R,5R,6S)-4-hydroxy-2-methyl-5-octanoyloxy-6-[[(1R,3S,5S,6R,7R,8R,20S,22R,24R,25S,26S)-7,25,26-trihydroxy-24-(hydroxymethyl)-5-methyl-10-oxo-20-pentyl-2,4,9,21,23-pentaoxatricyclo[20.4.0.03,8]hexacosan-6-yl]oxy]oxan-3-yl]oxy-2-methyloxan-3-yl] octanoate

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Overview

Molecular Formula C56H98O21
Molecular Weight 1107.40 g/mol
Canonical SMILES CCCCCCCC(=O)OC1C(OC(C(C1O)O)OC2C(OC(C(C2O)OC(=O)CCCCCCC)OC3C(OC4C(C3O)OC(=O)CCCCCCCCCC(OC5C(O4)C(C(C(O5)CO)O)O)CCCCC)C)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy