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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP036505

N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-2-[[(1R,2R,4S,5R,8R,10S,13R,14R,18S,21S)-2-hydroxy-4,5,9,9,13,20,20-heptamethyl-23-oxo-22-oxahexacyclo[19.2.1.01,18.04,17.05,14.08,13]tetracos-16-en-10-yl]oxy]-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-3-yl]acetamide

Formula: C43H67NO13  |  Mol. Weight: 806.00 g/mol

IUPAC: N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-2-[[(1R,2R,4S,5R,8R,10S,13R,14R,18S,21S)-2-hydroxy-4,5,9,9,13,20,20-heptamethyl-23-oxo-22-oxahexacyclo[19.2.1.01,18.04,17.05,14.08,13]tetracos-16-en-10-yl]oxy]-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-3-yl]acetamide

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Overview

Molecular Formula C43H67NO13
Molecular Weight 806.00 g/mol
Canonical SMILES CC(=O)NC1C(C(C(OC1OC2CCC3(C(C2(C)C)CCC4(C3CC=C5C4(CC(C67C5CC(C(C6)OC7=O)(C)C)O)C)C)C)COC8C(C(C(CO8)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy