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Chemical structure of Casuarictin

GC72043

Casuarictin

Also known as [(1R,2S,19R,20S,22R)-7,8,9,12,13,14,28,29,30,33,34,35-dodecahydroxy-4,17,25,38-tetraoxo-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.02,19.05,10.011,16.026,31.032,37]nonatriaconta-5,7,9,11,13,15,26,28,30,32,34,36-dodecaen-20-yl] 3,4,5-trihydroxybenzoate

Casuarictin is a potent and competitive α-glucosidase inhibitor with an IC50 of 0·21 μg/mL

ChemicalCAS79786-00-8MW936.65FormulaC41H28O26
CAS number
79786-00-8
Molecular weight
936.65
Formula
C41H28O26
InChIKey
SWRFKGRMQVLMKA-JIZJWZDPSA-N
Catalogue number
GC72043
Brand
GLPBIO
Computed properties PubChem CID 73644 · XLogP 2.1 · TPSA 444 Ų · H-bond donors 15
XLogP
2.1
TPSA
444 Ų
H-bond donors
15
H-bond acceptors
26
Rotatable bonds
3
Heavy atoms
67

SMILES C1[C@@H]2[C@H]([C@H]3[C@H]([C@@H](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(=C7C8=C(C(=C(C=C8C(=O)O1)O)O)O)O)O)O

Computed descriptors from PubChem (CID 73644), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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