7-O-Methyl-cyanidin-3-O-(2"galloyl)-galactoside

ScientificNameLabel

7-O-Methyl-cyanidin-3-O-(2"galloyl)-galactoside
PHCD compound ID :	3212
Chemical Names :	7-O-Methyl-cyanidin-3-O-(2"galloyl)-galactoside
Molecular Formula :	C29H27O15
Molecular Weight :	615.134995

More Details :

Names & Synonyms:
Smiles:	OC[C@H]1O[C@H](Oc2cc3c(O)cc(cc3[o+]c2c2ccc(c(c2)O)O)OC)[C@H]([C@H]([C@H]1O)O)OC(=O)c1cc(O)c(c(c1)O)O
InChi :	InChI=1S/C29H26O15/c1-40-13-7-16(32)14-9-21(26(41-20(14)8-13)11-2-3-15(31)17(33)4-11)42-29-27(25(38)24(37)22(10-30)43-29)44-28(39)12-5-18(34)23(36)19(35)6-12/h2-9,22,24-25,27,29-30,37-38H,10H2,1H3,(H5-,31,32,33,34,35,36,39)/p+1/t22-,24+,25+,27+,29+/m1/s1
InChi Key :	InChIKey=OQVMBYVIVFLWNB-GOECGZJSSA-O
PubChem ID :

Rotatable bond count :	8	Rule of five :	2
Hydrogen bond acceptor count :	14	Ionization potential :	10.937125
Hydrogen bond donor count :	9	Electric dipole moment :	17.996
XLogP :	2.337	VDW volume :	506.291845
Molecular weight :	615.134995	HOMO-LUMO gap :	5.521000

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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