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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP024019

Quadranguloside

Formula: C54H90O23  |  Mol. Weight: 1107.30 g/mol

IUPAC: 2-(hydroxymethyl)-6-[[3,4,5-trihydroxy-6-[(Z)-7-hydroxy-2-methyl-6-[7,7,12,16-tetramethyl-6-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]hept-2-enoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol

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Overview

Molecular Formula C54H90O23
Molecular Weight 1107.30 g/mol
Canonical SMILES CC(=CCCC(CO)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)OC6C(C(C(C(O6)COC7C(C(C(C(O7)CO)O)O)O)O)O)O)C)C)COC8C(C(C(C(O8)COC9C(C(C(C(O9)CO)O)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy