Isorhamnetin-7-O-neohesperidoside

ScientificNameLabel

Isorhamnetin-7-O-neohesperidoside
PHCD compound ID :	4076
Chemical Names :	Isorhamnetin-7-O-neohesperidoside
Molecular Formula :	C28H32O16
Molecular Weight :	624.169035

More Details :

Names & Synonyms:
Smiles:	OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(c(c3=O)O)c2ccc(c(c2)OC)O)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O
InChi :	InChI=1S/C28H32O16/c1-9-18(32)21(35)24(38)27(40-9)44-26-22(36)19(33)16(8-29)43-28(26)41-11-6-13(31)17-15(7-11)42-25(23(37)20(17)34)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-22,24,26-33,35-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,24+,26+,27-,28+/m0/s1
InChi Key :	InChIKey=SQRDLGLEZIBQLI-PDDXIVOGSA-N
PubChem ID :

Rotatable bond count :	7	Rule of five :	2
Hydrogen bond acceptor count :	16	Ionization potential :	8.917254
Hydrogen bond donor count :	9	Electric dipole moment :	6.921
XLogP :	-0.414	VDW volume :	528.813692
Molecular weight :	624.169035	HOMO-LUMO gap :	7.900000

Herb list :

Chicory, Succory - Cichorium intybus - کاسنی

Refrences & Litretures:


559. Journal:'Evidence-Based Complementary and Alternative Medicine' Year:'2013' Volume:'' Page:'579319' DOI:'10.1155/2013/579319' Title:'Cichorium intybus: Traditional Uses, Phytochemistry, Pharmacology, and Toxicology'

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