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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP013261

Ternatin C5

Formula: C36H43O25+  |  Mol. Weight: 875.70 g/mol

IUPAC: 3-[[(2R,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-[4-hydroxy-3,5-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]phenyl]chromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid

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Overview

Molecular Formula C36H43O25+
Molecular Weight 875.70 g/mol
Canonical SMILES C1=C(C=C(C(=C1OC2C(C(C(C(O2)CO)O)O)O)O)OC3C(C(C(C(O3)CO)O)O)O)C4=[O+]C5=CC(=CC(=C5C=C4OC6C(C(C(C(O6)COC(=O)CC(=O)O)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy