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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP001687

[(2R,3S,4S,5R,6S)-6-[(2R,3R,4S,5S,6R)-2-[[(1R,2S,5R,6R,9S,10S,11R,14R,15R,18S,19S,20R)-10,20-bis(hydroxymethyl)-6,10,14,15,20-pentamethyl-22-oxo-21-oxahexacyclo[17.3.2.01,18.02,15.05,14.06,11]tetracosan-9-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate

Formula: C44H70O16  |  Mol. Weight: 855.00 g/mol

IUPAC: [(2R,3S,4S,5R,6S)-6-[(2R,3R,4S,5S,6R)-2-[[(1R,2S,5R,6R,9S,10S,11R,14R,15R,18S,19S,20R)-10,20-bis(hydroxymethyl)-6,10,14,15,20-pentamethyl-22-oxo-21-oxahexacyclo[17.3.2.01,18.02,15.05,14.06,11]tetracosan-9-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate

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Overview

Molecular Formula C44H70O16
Molecular Weight 855.00 g/mol
Canonical SMILES CC(=O)OCC1C(C(C(C(O1)OC2C(C(C(OC2OC3CCC4(C5CCC6C(C5(CCC4C3(C)CO)C)(CCC7C68CCC7C(OC8=O)(C)CO)C)C)CO)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy