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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP039359

[(1S,3R,13R,14R,17S,18S,19R,20R,21S,22S,23S,24R,25S)-18-acetyloxy-21-(2-acetyloxy-2-methylpropanoyl)oxy-19-benzoyloxy-24,25-dihydroxy-3,13,14,25-tetramethyl-6,15-dioxo-22-(3,4,5-trimethoxybenzoyl)oxy-2,5,16-trioxa-11-azapentacyclo[15.7.1.01,20.03,23.07,12]pentacosa-7(12),8,10-trien-20-yl]methyl pyridine-3-carboxylate

Formula: C57H62N2O22  |  Mol. Weight: 1127.10 g/mol

IUPAC: [(1S,3R,13R,14R,17S,18S,19R,20R,21S,22S,23S,24R,25S)-18-acetyloxy-21-(2-acetyloxy-2-methylpropanoyl)oxy-19-benzoyloxy-24,25-dihydroxy-3,13,14,25-tetramethyl-6,15-dioxo-22-(3,4,5-trimethoxybenzoyl)oxy-2,5,16-trioxa-11-azapentacyclo[15.7.1.01,20.03,23.07,12]pentacosa-7(12),8,10-trien-20-yl]methyl pyridine-3-carboxylate

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Overview

Molecular Formula C57H62N2O22
Molecular Weight 1127.10 g/mol
Canonical SMILES CC1C(C(=O)OC2C(C(C3(C(C(C4C(C3(C2(C)O)OC4(COC(=O)C5=C1N=CC=C5)C)O)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC)OC(=O)C(C)(C)OC(=O)C)COC(=O)C7=CN=CC=C7)OC(=O)C8=CC=CC=C8)OC(=O)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy