Tetra-O-galloyl-scyllo-quercitol

ScientificNameLabel

Tetra-O-galloyl-scyllo-quercitol
PHCD compound ID :	3215
Chemical Names :	Tetra-O-galloyl-scyllo-quercitol
Molecular Formula :	C34H28O21
Molecular Weight :	772.112308

More Details :

Names & Synonyms:
Smiles:	O[C@@H]1C[C@H](OC(=O)c2cc(O)c(c(c2)O)O)[C@@H]([C@@H]([C@H]1OC(=O)c1cc(O)c(c(c1)O)O)OC(=O)c1cc(O)c(c(c1)O)O)OC(=O)c1cc(O)c(c(c1)O)O
InChi :	InChI=1S/C34H28O21/c35-14-1-10(2-15(36)24(14)44)31(48)52-23-9-22(43)28(53-32(49)11-3-16(37)25(45)17(38)4-11)30(55-34(51)13-7-20(41)27(47)21(42)8-13)29(23)54-33(50)12-5-18(39)26(46)19(40)6-12/h1-8,22-23,28-30,35-47H,9H2/t22-,23+,28+,29+,30-/m1/s1
InChi Key :	InChIKey=PFQOJLALIIJNDB-IXHJVDDRSA-N
PubChem ID :

Rotatable bond count :	12	Rule of five :	3
Hydrogen bond acceptor count :	21	Ionization potential :	9.048681
Hydrogen bond donor count :	13	Electric dipole moment :	9.073
XLogP :	4.134	VDW volume :	633.649064
Molecular weight :	772.112308	HOMO-LUMO gap :	7.869000

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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