C42 H52 O20
GGT
Trioxacarcin A
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
(1S,2R,3aS,4S,8S,10S,13aS)-13a-[(4-C-acetyl-2,6-dideoxy-alph...Show more
Formula
Standard InChI
InChI=1S/C42H52O20/c1-15-10-20-27(31(48)29-28(32(20)51-7)22(11-21(45)30(29)47)58-25-13-38(6,49)35(16(2)55-25)57-19(5)44)...Show more
Standard InChI Key
VVCYZYSLUSSELI-NVJOEFDOSA-N
SMILES
Cc1cc2c(c(c3c(c2OC)[C@H](C[C@@H](C3=O)O)O[C@H]4C[C@@]([C@@H]...Show more
Source OpenEye
First observed in
Overall view, and highlighted
scaffolds and fragments ![help icon]()
This image gallery displays several views of the ligand structure:
- Basic Structural Representation: Shows the overall structure of the ligand.
- Detailed Structural Representation: Highlights individual atoms within the ligand.
- Murcko Scaffold: Presents the scaffold of the ligand highlighted in yellow.
- Highlighted Fragments: Displays various ligand fragments, highlighted in yellow.
This image gallery displays several views of the ligand structure:
- Basic Structural Representation: Shows the overall structure of the ligand.
- Detailed Structural Representation: Highlights individual atoms within the ligand.
- Murcko Scaffold: Presents the scaffold of the ligand highlighted in yellow.
- Highlighted Fragments: Displays various ligand fragments, highlighted in yellow.
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