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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP025672

[(2R,3R,4R,5R,6S)-4,5-dihydroxy-6-[(2S,3R,4R,5R,6S)-4-hydroxy-2-methyl-5-[(E)-2-methylbut-2-enoyl]oxy-6-[[(1S,3R,4S,5S,6R,8R,10S,22S,23R,24R,26R)-4,5,23-trihydroxy-24-(hydroxymethyl)-6-methyl-20-oxo-10-propyl-2,7,9,21,25-pentaoxatricyclo[20.3.1.03,8]hexacosan-26-yl]oxy]oxan-3-yl]oxy-2-methyloxan-3-yl] (E)-2-methylbut-2-enoate

Formula: C48H78O21  |  Mol. Weight: 991.10 g/mol

IUPAC: [(2R,3R,4R,5R,6S)-4,5-dihydroxy-6-[(2S,3R,4R,5R,6S)-4-hydroxy-2-methyl-5-[(E)-2-methylbut-2-enoyl]oxy-6-[[(1S,3R,4S,5S,6R,8R,10S,22S,23R,24R,26R)-4,5,23-trihydroxy-24-(hydroxymethyl)-6-methyl-20-oxo-10-propyl-2,7,9,21,25-pentaoxatricyclo[20.3.1.03,8]hexacosan-26-yl]oxy]oxan-3-yl]oxy-2-methyloxan-3-yl] (E)-2-methylbut-2-enoate

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Overview

Molecular Formula C48H78O21
Molecular Weight 991.10 g/mol
Canonical SMILES CCCC1CCCCCCCCCC(=O)OC2C(C(OC(C2OC3C(C(C(C(O3)C)OC4C(C(C(C(O4)C)OC(=O)C(=CC)C)O)O)O)OC(=O)C(=CC)C)OC5C(C(C(OC5O1)C)O)O)CO)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy