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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP038568

2-[(10S,12S,14S,18R,19S,20S,22S,23E,25E,27E,29E,31E,33E,35E,37R,38R)-22-[(2S,3S,4R,5R,6S)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-10,12,14,18,20-pentahydroxy-38-[(2S,4R,5R)-5-hydroxy-4-methyl-7-oxo-7-pyridin-4-ylheptan-2-yl]-37-methyl-2,4,8,16-tetraoxo-1-oxacyclooctatriaconta-23,25,27,29,31,33,35-heptaen-19-yl]acetic acid

Formula: C59H84N2O18  |  Mol. Weight: 1109.30 g/mol

IUPAC: 2-[(10S,12S,14S,18R,19S,20S,22S,23E,25E,27E,29E,31E,33E,35E,37R,38R)-22-[(2S,3S,4R,5R,6S)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-10,12,14,18,20-pentahydroxy-38-[(2S,4R,5R)-5-hydroxy-4-methyl-7-oxo-7-pyridin-4-ylheptan-2-yl]-37-methyl-2,4,8,16-tetraoxo-1-oxacyclooctatriaconta-23,25,27,29,31,33,35-heptaen-19-yl]acetic acid

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Overview

Molecular Formula C59H84N2O18
Molecular Weight 1109.30 g/mol
Canonical SMILES CC1C=CC=CC=CC=CC=CC=CC=CC(CC(C(C(CC(=O)CC(CC(CC(CC(=O)CCCC(=O)CC(=O)OC1C(C)CC(C)C(CC(=O)C2=CC=NC=C2)O)O)O)O)O)CC(=O)O)O)OC3C(C(C(C(O3)C)O)N)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy