Petunidin-3-O-glucoside pyruvate

ScientificNameLabel

Petunidin-3-O-glucoside pyruvate
PHCD compound ID :	3229
Chemical Names :	Petunidin-3-O-glucoside pyruvate
Molecular Formula :	C25H23O14
Molecular Weight :	547.10878

More Details :

Names & Synonyms:
Smiles:	OC[C@H]1O[C@H](Oc2c([o+]c3c4c2C=C(Oc4cc(c3)O)C(=O)O)c2cc(O)c(c(c2)OC)O)[C@H]([C@H]([C@@H]1O)O)O
InChi :	InChI=1S/C25H22O14/c1-35-14-3-8(2-11(28)18(14)29)22-23(39-25-21(32)20(31)19(30)16(7-26)38-25)10-6-15(24(33)34)36-12-4-9(27)5-13(37-22)17(10)12/h2-6,16,19-21,25-26,30-32H,7H2,1H3,(H3-,27,28,29,33,34)/p+1/t16-,19-,20+,21+,25-/m1/s1
InChi Key :	InChIKey=WAHAKFFWGKJQOG-WERZEZIMSA-O
PubChem ID :

Rotatable bond count :	6	Rule of five :	2
Hydrogen bond acceptor count :	14	Ionization potential :	11.705387
Hydrogen bond donor count :	8	Electric dipole moment :	13.181
XLogP :	0	VDW volume :	0
Molecular weight :	547.10878	HOMO-LUMO gap :	5.945000

Herb list :

Sumac - Rhus coriaria - سماق

Refrences & Litretures:


443. Journal:'Food Chemistry' Year:'2015' Volume:'166' Page:'179' DOI:'10.1016/j.foodchem.2014.06.011' Title:'HPLC–DAD–ESI-MS/MS screening of bioactive components from Rhus coriaria L. (Sumac) fruits'

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