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Chemical structure of Tellimagrandin II

GC64237

Tellimagrandin II

Also known as [3,4,5,21,22,23-hexahydroxy-8,18-dioxo-12,13-bis[(3,4,5-trihydroxybenzoyl)oxy]-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-11-yl] 3,4,5-trihydroxybenzoate

Tellimagrandin II (Eugeniin), the first intermediate in the 4C1-glucose derived series of ellagitannins, also inhibits antibiotic resistance of drug-resistant Staphylococcus aureus

ChemicalCAS81571-72-4MW938.66FormulaC41H30O26
CAS number
81571-72-4
Molecular weight
938.66
Formula
C41H30O26
Solubility
DMSO ： 100 mg/mL (106·53 mM; Need ultrasonic)
InChIKey
JCGHAEBIBSEQAD-UHFFFAOYSA-N
Catalogue number
GC64237
Brand
GLPBIO
Computed properties PubChem CID 151590 · XLogP 2.4 · TPSA 444 Ų · H-bond donors 15
XLogP
2.4
TPSA
444 Ų
H-bond donors
15
H-bond acceptors
26
Rotatable bonds
9
Heavy atoms
67

SMILES C1C2C(C(C(C(O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)OC(=O)C6=CC(=C(C(=C6C7=C(C(=C(C=C7C(=O)O1)O)O)O)O)O)O

Computed descriptors from PubChem (CID 151590), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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