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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP032555

(1S,4R,10S,13S,16S,19S)-13-[(4-methoxyphenyl)methyl]-4,12,16,18,32-pentamethyl-27-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-25-oxa-3,6,12,15,18,32-hexazapentacyclo[17.12.2.221,24.126,30.06,10]hexatriaconta-21,23,26,28,30(34),35-hexaene-2,5,7,11,14,17,33-heptone

Formula: C48H58N6O15  |  Mol. Weight: 959.00 g/mol

IUPAC: (1S,4R,10S,13S,16S,19S)-13-[(4-methoxyphenyl)methyl]-4,12,16,18,32-pentamethyl-27-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-25-oxa-3,6,12,15,18,32-hexazapentacyclo[17.12.2.221,24.126,30.06,10]hexatriaconta-21,23,26,28,30(34),35-hexaene-2,5,7,11,14,17,33-heptone

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Overview

Molecular Formula C48H58N6O15
Molecular Weight 959.00 g/mol
Canonical SMILES CC1C(=O)N2C(CCC2=O)C(=O)N(C(C(=O)NC(C(=O)N(C3CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC(C(=O)N1)N(C3=O)C)OC6C(C(C(C(O6)CO)O)O)O)C)C)CC7=CC=C(C=C7)OC)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy