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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP031654

[3,6a,13',14',18',19'-hexahydroxy-2',5,10',23'-tetraoxo-7',25'-bis[(3,4,5-trihydroxybenzoyl)oxy]spiro[3,3a-dihydro-2H-furo[3,2-b]furan-6,21'-3,6,9,20,24-pentaoxahexacyclo[17.2.2.14,8.115,18.01,17.011,16]pentacosa-11,13,15-triene]-5'-yl]methyl 3,4,5-trihydroxybenzoate

Formula: C47H36O32  |  Mol. Weight: 1112.80 g/mol

IUPAC: [3,6a,13',14',18',19'-hexahydroxy-2',5,10',23'-tetraoxo-7',25'-bis[(3,4,5-trihydroxybenzoyl)oxy]spiro[3,3a-dihydro-2H-furo[3,2-b]furan-6,21'-3,6,9,20,24-pentaoxahexacyclo[17.2.2.14,8.115,18.01,17.011,16]pentacosa-11,13,15-triene]-5'-yl]methyl 3,4,5-trihydroxybenzoate

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Overview

Molecular Formula C47H36O32
Molecular Weight 1112.80 g/mol
Canonical SMILES C1C(C2C(O1)(C3(C(=O)O2)C45CC(=O)C(O3)(C6(C4C7=C(O6)C(=C(C=C7C(=O)OC8C(C(C(OC8OC(=O)C9=CC(=C(C(=C9)O)O)O)COC(=O)C1=CC(=C(C(=C1)O)O)O)OC5=O)OC(=O)C1=CC(=C(C(=C1)O)O)O)O)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy