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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP033153

[4,5,6,12,20,21,22,25,26,30,31,32,38,46,47,48,51,52-Octadecahydroxy-10,17,35,43,55,62-hexaoxo-58-(3,4,5-trihydroxybenzoyl)oxy-2,9,13,16,28,36,39,42,56,61-decaoxaundecacyclo[38.12.5.514,27.111,15.137,41.03,8.018,23.029,34.044,49.050,54.024,60]tetrahexaconta-1(52),3(8),4,6,18,20,22,24,26,29,31,33,44,46,48,50,53,59-octadecaen-64-yl] 3,4,5-trihydroxybenzoate

Formula: C68H48O44  |  Mol. Weight: 1569.10 g/mol

IUPAC: [4,5,6,12,20,21,22,25,26,30,31,32,38,46,47,48,51,52-octadecahydroxy-10,17,35,43,55,62-hexaoxo-58-(3,4,5-trihydroxybenzoyl)oxy-2,9,13,16,28,36,39,42,56,61-decaoxaundecacyclo[38.12.5.514,27.111,15.137,41.03,8.018,23.029,34.044,49.050,54.024,60]tetrahexaconta-1(52),3(8),4,6,18,20,22,24,26,29,31,33,44,46,48,50,53,59-octadecaen-64-yl] 3,4,5-trihydroxybenzoate

3D View Find Similar

Overview

Molecular Formula C68H48O44
Molecular Weight 1569.10 g/mol
Canonical SMILES C1C2C3C(C(C(O2)O)C(=O)OC4=C(C(=C(C(=C4)O)O)O)OC5=C(C(=C6C(=C5)C(=O)OCC7C(C(C(C(O7)O)OC(=O)C8=CC(=C(C(=C8OC9=C(C(=C(C(=C9)OC1=O)C1=C(C(=C(C=C1C(=O)O3)O)O)O)O)O)O)O)O)OC(=O)C1=CC(=C(C(=C1)O)O)O)OC(=O)C1=CC(=C(C(=C16)O)O)O)O)O)OC(=O)C1=CC(=C(C(=C1)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy