7-O-Methyldelphinidin-3-O-(2"galloyl)-galactoside I

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7-O-Methyldelphinidin-3-O-(2"galloyl)-galactoside I
PHCD compound ID :	3204
Chemical Names :	7-O-Methyldelphinidin-3-O-(2"galloyl)-galactoside I
Molecular Formula :	C29H27O16
Molecular Weight :	631.12991

More Details :

Names & Synonyms:
Smiles:	OC[C@H]1O[C@H](Oc2cc3c(O)cc(cc3[o+]c2c2cc(O)c(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/C29H26O16/c1-41-12-6-14(31)13-8-20(26(42-19(13)7-12)10-2-15(32)22(36)16(33)3-10)43-29-27(25(39)24(38)21(9-30)44-29)45-28(40)11-4-17(34)23(37)18(35)5-11/h2-8,21,24-25,27,29-30,38-39H,9H2,1H3,(H6-,31,32,33,34,35,36,37,40)/p+1/t21-,24+,25+,27+,29+/m1/s1
InChi Key :	InChIKey=VNTUKJHQJVKAHX-ODRLGVKOSA-O
PubChem ID :

Rotatable bond count :	8	Rule of five :	2
Hydrogen bond acceptor count :	15	Ionization potential :	10.978994
Hydrogen bond donor count :	10	Electric dipole moment :	16.705
XLogP :	2.685	VDW volume :	515.082071
Molecular weight :	631.12991	HOMO-LUMO gap :	5.516000

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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