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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP033062

7,8,9,12,13,14,24,25,26,29,30,31,34,35,36,45-Hexadecahydroxy-15-(7,8,9,12,13,14,24,25,26,29,30,31,34,35,36-pentadecahydroxy-4,17,22,39,43-pentaoxo-3,18,21,40,42-pentaoxanonacyclo[26.13.3.123,27.137,41.02,20.05,10.011,16.032,44.033,38]hexatetraconta-5,7,9,11,13,15,23,25,27(46),28(44),29,31,33(38),34,36-pentadecaen-45-yl)-3,18,21,40,42-pentaoxanonacyclo[26.13.3.123,27.137,41.02,20.05,10.011,16.032,44.033,38]hexatetraconta-5,7,9,11(16),12,14,23,25,27(46),28(44),29,31,33(38),34,36-pentadecaene-4,17,22,39,43-pentone

Formula: C82H50O51  |  Mol. Weight: 1851.20 g/mol

IUPAC: 7,8,9,12,13,14,24,25,26,29,30,31,34,35,36,45-hexadecahydroxy-15-(7,8,9,12,13,14,24,25,26,29,30,31,34,35,36-pentadecahydroxy-4,17,22,39,43-pentaoxo-3,18,21,40,42-pentaoxanonacyclo[26.13.3.123,27.137,41.02,20.05,10.011,16.032,44.033,38]hexatetraconta-5,7,9,11,13,15,23,25,27(46),28(44),29,31,33(38),34,36-pentadecaen-45-yl)-3,18,21,40,42-pentaoxanonacyclo[26.13.3.123,27.137,41.02,20.05,10.011,16.032,44.033,38]hexatetraconta-5,7,9,11(16),12,14,23,25,27(46),28(44),29,31,33(38),34,36-pentadecaene-4,17,22,39,43-pentone

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Overview

Molecular Formula C82H50O51
Molecular Weight 1851.20 g/mol
Canonical SMILES C1C2C(C3C4C(C5=C(C(=C(C(=C5C(=O)O4)C6=C(C(=C(C(=C6C(=O)O3)C7=CC(=C(C(=C7O)O)O)C(=O)O2)O)O)O)O)O)O)C8=C(C(=C(C9=C8C(=O)OCC2C(C3C4C(C5=C(C(=C(C(=C5C(=O)O4)C4=C(C(=C(C(=C4C(=O)O3)C3=CC(=C(C(=C3O)O)O)C(=O)O2)O)O)O)O)O)O)O)OC(=O)C2=CC(=C(C(=C29)O)O)O)O)O)O)OC(=O)C2=CC(=C(C(=C2C2=C(C(=C(C=C2C(=O)O1)O)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy