Pedalitin 6-O-galactoside

ScientificNameLabel

Pedalitin 6-O-galactoside
PHCD compound ID :	5262
Chemical Names :	Pedalitin 6-O-galactoside
Molecular Formula :	C22H22O12
Molecular Weight :	478.111126

More Details :

Names & Synonyms:
Smiles:	OC[C@@H]1O[C@@H](Oc2c(OC)cc3c(c2O)c(=O)cc(o3)c2ccc(c(c2)O)O)[C@@H]([C@H]([C@H]1O)O)O
InChi :	InChI=1S/C22H22O12/c1-31-14-6-13-16(11(26)5-12(32-13)8-2-3-9(24)10(25)4-8)18(28)21(14)34-22-20(30)19(29)17(27)15(7-23)33-22/h2-6,15,17,19-20,22-25,27-30H,7H2,1H3/t15-,17-,19-,20+,22-/m0/s1
InChi Key :	InChIKey=WLDSVYQTJXGHOT-NTDLQVJQSA-N
PubChem ID :

Rotatable bond count :	5	Rule of five :	2
Hydrogen bond acceptor count :	12	Ionization potential :	9.221835
Hydrogen bond donor count :	7	Electric dipole moment :	12.695
XLogP :	0.42	VDW volume :	402.233336
Molecular weight :	478.111126	HOMO-LUMO gap :	7.963000

Herb list :

European verbena, Vervain - Verbena officinalis L - شاه پسند

Refrences & Litretures:


841. Journal:'LWT - Food Science and Technology' Year:'2011' Volume:'44' Page:'875' DOI:'10.1016/j.lwt.2010.11.035' Title:'Chemical composition, mineral content and antioxidant activity of Verbena of?cinalis L'

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