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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP011721

[(10R,11S,13R,14R,15S)-3,4,5,20,21,22-hexahydroxy-8,17-dioxo-11,14-bis[(3,4,5-trihydroxybenzoyl)oxy]-9,12,16-trioxatetracyclo[16.4.0.02,7.010,15]docosa-1(22),2,4,6,18,20-hexaen-13-yl]methyl 3,4,5-trihydroxybenzoate

Formula: C41H30O26  |  Mol. Weight: 938.70 g/mol

IUPAC: [(10R,11S,13R,14R,15S)-3,4,5,20,21,22-hexahydroxy-8,17-dioxo-11,14-bis[(3,4,5-trihydroxybenzoyl)oxy]-9,12,16-trioxatetracyclo[16.4.0.02,7.010,15]docosa-1(22),2,4,6,18,20-hexaen-13-yl]methyl 3,4,5-trihydroxybenzoate

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Overview

Molecular Formula C41H30O26
Molecular Weight 938.70 g/mol
Canonical SMILES C1=C(C=C(C(=C1O)O)O)C(=O)OCC2C(C3C(C(O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5C6=C(C(=C(C=C6C(=O)O3)O)O)O)O)O)O)OC(=O)C7=CC(=C(C(=C7)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy