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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP034831

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

Formula: C63H110O24  |  Mol. Weight: 1251.50 g/mol

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

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Overview

Molecular Formula C63H110O24
Molecular Weight 1251.50 g/mol
Canonical SMILES CCCCCCCCCCCC(=O)OC1C(C(C(OC1OC2C(OC3C(C2OC4C(C(C(C(O4)C)OC(=O)C(C)CC)O)O)OC(=O)CCCCCCCCCC(OC5C(O3)C(C(C(O5)C)O)O)CCCCC)C)C)OC6C(C(C(C(O6)C)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy