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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP002233

(2S,3S,4S,5R,6R)-3,4-dihydroxy-5-[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-4-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]methoxy]oxan-2-yl]oxy-6-[[(1R,2R,5S,6R,9R,10S,11S,14R,15R,19S,21R)-10-(hydroxymethyl)-2,5,6,10,14,21-hexamethyl-22-oxo-23-oxahexacyclo[19.2.1.02,19.05,18.06,15.09,14]tetracos-17-en-11-yl]oxy]oxane-2-carboxylic acid

Formula: C54H84O23  |  Mol. Weight: 1101.20 g/mol

IUPAC: (2S,3S,4S,5R,6R)-3,4-dihydroxy-5-[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-4-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]methoxy]oxan-2-yl]oxy-6-[[(1R,2R,5S,6R,9R,10S,11S,14R,15R,19S,21R)-10-(hydroxymethyl)-2,5,6,10,14,21-hexamethyl-22-oxo-23-oxahexacyclo[19.2.1.02,19.05,18.06,15.09,14]tetracos-17-en-11-yl]oxy]oxane-2-carboxylic acid

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Overview

Molecular Formula C54H84O23
Molecular Weight 1101.20 g/mol
Canonical SMILES CC1C(C(C(C(O1)OC2C(C(C(OC2OC3C(C(C(OC3OC4CCC5(C(C4(C)CO)CCC6(C5CC=C7C6(CCC8(C7CC9(CC8OC9=O)C)C)C)C)C)C(=O)O)O)O)CO)O)OCC1C(C(C(CO1)O)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy