Quercetin-3-O-(6"-3-hydroxy-3-methylglutaroyl)-âgalactoside Spicoside E

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Quercetin-3-O-(6"-3-hydroxy-3-methylglutaroyl)-âgalactoside Spicoside E
PHCD compound ID :	3227
Chemical Names :	Quercetin-3-O-(6"-3-hydroxy-3-methylglutaroyl)-âgalactoside Spicoside E
Molecular Formula :	C27H28O16
Molecular Weight :	608.137735

More Details :

Names & Synonyms:
Smiles:	Oc1cc(O)c2c(c1)oc(c(c2=O)O[C@H]1O[C@H](COC(=O)C[C@](CC(=O)O)(O)C)[C@@H]([C@@H]([C@@H]1O)O)O)c1ccc(c(c1)O)O
InChi :	InChI=1S/C27H28O16/c1-27(39,7-17(32)33)8-18(34)40-9-16-20(35)22(37)23(38)26(42-16)43-25-21(36)19-14(31)5-11(28)6-15(19)41-24(25)10-2-3-12(29)13(30)4-10/h2-6,16,20,22-23,26,28-31,35,37-39H,7-9H2,1H3,(H,32,33)/t16-,20+,22+,23+,26-,27+/m1/s1
InChi Key :	InChIKey=FMMBDZGNMFRGMV-RIDNTKPGSA-N
PubChem ID :

Rotatable bond count :	10	Rule of five :	2
Hydrogen bond acceptor count :	16	Ionization potential :	9.196246
Hydrogen bond donor count :	9	Electric dipole moment :	6.210
XLogP :	-0.475	VDW volume :	518.601249
Molecular weight :	608.137735	HOMO-LUMO gap :	7.931000

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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