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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP033063

(8,9,9,13,14,26,27,28,31,32,33-Undecahydroxy-4,7,17,23,36-pentaoxo-3,18,22,37,38,40-hexaoxaoctacyclo[18.17.1.12,19.18,12.05,10.011,16.024,29.030,35]tetraconta-5,11,13,15,24,26,28,30,32,34-decaen-39-yl) 3,4,5-trihydroxybenzoate

Formula: C41H28O27  |  Mol. Weight: 952.60 g/mol

IUPAC: (8,9,9,13,14,26,27,28,31,32,33-undecahydroxy-4,7,17,23,36-pentaoxo-3,18,22,37,38,40-hexaoxaoctacyclo[18.17.1.12,19.18,12.05,10.011,16.024,29.030,35]tetraconta-5,11,13,15,24,26,28,30,32,34-decaen-39-yl) 3,4,5-trihydroxybenzoate

Overview

Molecular Formula C41H28O27
Molecular Weight 952.60 g/mol
Canonical SMILES C1C2C3C(C(C(O2)OC(=O)C4=CC(=C(C(=C4C5=C(C(=C(C=C5C(=O)O1)O)O)O)O)O)O)OC(=O)C6=CC(=O)C7(C(C6C8=C(O7)C(=C(C=C8C(=O)O3)O)O)(O)O)O)OC(=O)C9=CC(=C(C(=C9)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy