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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP038395

[(2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5S,6R)-6-[(2S,3R,4S,5S,6R)-2-[(2S)-2,3-bis[(3R,7R,11R)-3,7,11,15-tetramethylhexadecoxy]propoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] hydrogen sulfate

Formula: C61H118O21S  |  Mol. Weight: 1219.60 g/mol

IUPAC: [(2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5S,6R)-6-[(2S,3R,4S,5S,6R)-2-[(2S)-2,3-bis[(3R,7R,11R)-3,7,11,15-tetramethylhexadecoxy]propoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] hydrogen sulfate

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Overview

Molecular Formula C61H118O21S
Molecular Weight 1219.60 g/mol
Canonical SMILES CC(C)CCCC(C)CCCC(C)CCCC(C)CCOCC(COC1C(C(C(C(O1)CO)O)O)OC2C(C(C(C(O2)COC3C(C(C(C(O3)CO)O)OS(=O)(=O)O)O)O)O)O)OCCC(C)CCCC(C)CCCC(C)CCCC(C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy