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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP010220

[(2S,3R,4R,5R,6S)-6-[[(1S,3S,4R,5R,7S,9R,10S,11S,12R,14R,16S,28R,29S,30S,31R,33R,36R,37R,38R,39R,41R)-4,10,11,29,30,39-hexahydroxy-5,12,31-tris(hydroxymethyl)-37,38-bis[[(2S)-2-methylbutanoyl]oxy]-26-oxo-16-pentyl-2,6,8,13,15,27,32,34,40-nonaoxapentacyclo[34.3.1.13,7.09,14.028,33]hentetracontan-41-yl]oxy]-4-hydroxy-2-methyl-5-[(2S)-2-methylbutanoyl]oxyoxan-3-yl] (2S)-2-methylbutanoate

Formula: C66H112O30  |  Mol. Weight: 1385.60 g/mol

IUPAC: [(2S,3R,4R,5R,6S)-6-[[(1S,3S,4R,5R,7S,9R,10S,11S,12R,14R,16S,28R,29S,30S,31R,33R,36R,37R,38R,39R,41R)-4,10,11,29,30,39-hexahydroxy-5,12,31-tris(hydroxymethyl)-37,38-bis[[(2S)-2-methylbutanoyl]oxy]-26-oxo-16-pentyl-2,6,8,13,15,27,32,34,40-nonaoxapentacyclo[34.3.1.13,7.09,14.028,33]hentetracontan-41-yl]oxy]-4-hydroxy-2-methyl-5-[(2S)-2-methylbutanoyl]oxyoxan-3-yl] (2S)-2-methylbutanoate

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Overview

Molecular Formula C66H112O30
Molecular Weight 1385.60 g/mol
Canonical SMILES CCCCCC1CCCCCCCCCC(=O)OC2C(C(C(OC2OCC3C(C(C(C(O3)OC4C(C(OC(C4OC5C(C(C(C(O5)C)OC(=O)C(C)CC)O)OC(=O)C(C)CC)OC6C(C(C(OC6O1)CO)O)O)CO)O)O)OC(=O)C(C)CC)OC(=O)C(C)CC)CO)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy