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Chemical structure of 5-O-Primeverosylapigenin

GC68565

5-O-Primeverosylapigenin

Also known as 7-hydroxy-2-(4-hydroxyphenyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one

5-O-Primeverosylapigenin is a primary bitter compound that can be isolated from plants in the Gentianaceae family

ChemicalCAS2382681-38-9MW564.49FormulaC26H28O14
CAS number
2382681-38-9
Molecular weight
564.49
Formula
C26H28O14
InChIKey
JVOGBCHIMQGHFI-VVLSUMKGSA-N
Catalogue number
GC68565
Brand
GLPBIO
Computed properties PubChem CID 171361246 · XLogP -1.8 · TPSA 225 Ų · H-bond donors 8
XLogP
-1.8
TPSA
225 Ų
H-bond donors
8
H-bond acceptors
14
Rotatable bonds
6
Heavy atoms
40

SMILES C1[C@H]([C@@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=CC4=C3C(=O)C=C(O4)C5=CC=C(C=C5)O)O)O)O)O)O)O)O

Computed descriptors from PubChem (CID 171361246), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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