Name: Pinocembrin-7-O-(4",6"-hexahydroxydiphenoyl)-β-D-glucoside
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HIT ID:HIT218683083
Cas No:1825287-22-6
Common Name:Pinocembrin-7-O-(4",6"-hexahydroxydiphenoyl)-β-D-glucoside
Common Name:Pinocembrin-7-O-(4",6"-hexahydroxydiphenoyl)-β-D-glucoside
IUPAC:(10S,11R,12R,13S,15R)-3,4,5,11,12,21,22,23-octahydroxy-13-{[(2S)-5-hydroxy-4-oxo-2-phenyl-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}-9,14,17-trioxatetracyclo[17.4.0.0^{2,7}.0^{10,15}]tricosa-1(19),2(7),3,5,20,22-hexaene-8,18-dione
IUPAC:(10S,11R,12R,13S,15R)-3,4,5,11,12,21,22,23-octahydroxy-13-{[(2S)-5-hydroxy-4-oxo-2-phenyl-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}-9,14,17-trioxatetracyclo[17.4.0.0^{2,7}.0^{10,15}]tricosa-1(19),2(7),3,5,20,22-hexaene-8,18-dione
InChI key:SHBQSNYBINOTIL-UFMKBGOESA-N

Molecular Formula:C35H28O17
Molecular Weight:720.592
Hydrogen Bond Donor (HBD):
Hydrogen Bond Acceptor (HBA):
LogP:
SMILES:O[C@@H]1[C@@H](O)[C@@H]2OC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)cc3C(=O)OC[C@H]2O[C@H]1Oc1cc(O)c2C(=O)C[C@H](Oc2c1)c1ccccc1
SMILES:O[C@@H]1[C@@H](O)[C@@H]2OC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)cc3C(=O)OC[C@H]2O[C@H]1Oc1cc(O)c2C(=O)C[C@H](Oc2c1)c1ccccc1

Pinocembrin-7-O-(4",6"-hexahydroxydiphenoyl)-β-D-glucoside is a flavonoid–ellagitannin natural product belonging to polyphenolic glycoside derivatives. It can be used as a reference compound in natural product analysis and life science research.

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