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Chemical structure of Comanthoside A

GC60721

Comanthoside A

Also known as methyl 3,4,5-trihydroxy-6-[5-hydroxy-6-methoxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylate

Comanthoside A is a plant derived natural flavonoid glycoside isolated from the leaves of Comanthosphace japonica

ChemicalCAS70938-59-9MW504.44FormulaC24H24O12
CAS number
70938-59-9
Molecular weight
504.44
Formula
C24H24O12
InChIKey
BWUMQHHQRFRBKZ-UHFFFAOYSA-N
Catalogue number
GC60721
Brand
GLPBIO
Computed properties PubChem CID 44258441 · XLogP 1.7 · TPSA 170 Ų · H-bond donors 4
XLogP
1.7
TPSA
170 Ų
H-bond donors
4
H-bond acceptors
12
Rotatable bonds
7
Heavy atoms
36

SMILES COC1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC4C(C(C(C(O4)C(=O)OC)O)O)O)OC)O

Computed descriptors from PubChem (CID 44258441), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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