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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP027039

[(2S,3R,4R,5R,6S)-2-[[(1R,3S,5R,6R,7S,9S,11S,12S,13R,25S,27R,29R,30S,31S,32R,34S,36S,37R,38R,39R,40R)-6,12,30,31,37,39-hexahydroxy-5,11,29,36-tetramethyl-38-[(E)-2-methylbut-2-enoyl]oxy-15-oxo-25-propyl-2,4,8,10,14,26,28,33,35-nonaoxapentacyclo[32.2.2.13,7.19,13.027,32]tetracontan-40-yl]oxy]-4,5-dihydroxy-6-methyloxan-3-yl] (2R,3R)-3-hydroxy-2-methylbutanoate

Formula: C54H90O25  |  Mol. Weight: 1139.30 g/mol

IUPAC: [(2S,3R,4R,5R,6S)-2-[[(1R,3S,5R,6R,7S,9S,11S,12S,13R,25S,27R,29R,30S,31S,32R,34S,36S,37R,38R,39R,40R)-6,12,30,31,37,39-hexahydroxy-5,11,29,36-tetramethyl-38-[(E)-2-methylbut-2-enoyl]oxy-15-oxo-25-propyl-2,4,8,10,14,26,28,33,35-nonaoxapentacyclo[32.2.2.13,7.19,13.027,32]tetracontan-40-yl]oxy]-4,5-dihydroxy-6-methyloxan-3-yl] (2R,3R)-3-hydroxy-2-methylbutanoate

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Overview

Molecular Formula C54H90O25
Molecular Weight 1139.30 g/mol
Canonical SMILES CCCC1CCCCCCCCCC(=O)OC2C(C(OC(C2O)OC3C(C(OC(C3OC4C(C(C(C(O4)C)O)O)OC(=O)C(C)C(C)O)OC5C(OC(C(C5O)OC(=O)C(=CC)C)OC6C(C(C(OC6O1)C)O)O)C)C)O)C)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy