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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP036007

Valolaginic acid

Formula: C41H30O28  |  Mol. Weight: 970.70 g/mol

IUPAC: 2-[23-(carboxymethyl)-7,8,9,12,13,14,26,27,28,31,32,33,42-tridecahydroxy-4,17,22,36,40-pentaoxo-3,18,21,37,39-pentaoxaoctacyclo[23.13.3.134,38.02,20.05,10.011,16.029,41.030,35]dotetraconta-5,7,9,11,13,15,25,27,29(41),30(35),31,33-dodecaen-24-yl]-2-hydroxyacetic acid

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Overview

Molecular Formula C41H30O28
Molecular Weight 970.70 g/mol
Canonical SMILES C1C2C(C3C4C(C5=C(C(=C(C(=C5C(=O)O4)C6=C(C(=C(C(=C6O)O)O)C(C(C(=O)O2)CC(=O)O)C(C(=O)O)O)C(=O)O3)O)O)O)O)OC(=O)C7=CC(=C(C(=C7C8=C(C(=C(C=C8C(=O)O1)O)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy