isorhamnetin-3-O-glucose-7-O-sophoroside

ScientificNameLabel

isorhamnetin-3-O-glucose-7-O-sophoroside
PHCD compound ID :	3612
Chemical Names :	isorhamnetin-3-O-glucose-7-O-sophoroside
Molecular Formula :	C34H42O22
Molecular Weight :	802.216773

More Details :

Names & Synonyms:
Smiles:	OC[C@@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(c(c3=O)O[C@@H]2O[C@H](CO)[C@@H]([C@@H]([C@@H]2O)O)O)c2ccc(c(c2)OC)O)[C@@H]([C@H]([C@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O
InChi :	InChI=1S/C34H42O22/c1-49-14-4-10(2-3-12(14)38)29-30(55-32-27(47)24(44)20(40)16(7-35)52-32)23(43)19-13(39)5-11(6-15(19)51-29)50-34-31(26(46)22(42)18(9-37)54-34)56-33-28(48)25(45)21(41)17(8-36)53-33/h2-6,16-18,20-22,24-28,31-42,44-48H,7-9H2,1H3/t16-,17-,18+,20+,21-,22+,24+,25+,26+,27+,28-,31-,32+,33+,34-/m1/s1
InChi Key :	InChIKey=RCYARZSFGNYLRE-ROHQTWIRSA-N
PubChem ID :

Rotatable bond count :	11	Rule of five :	3
Hydrogen bond acceptor count :	22	Ionization potential :	8.840561
Hydrogen bond donor count :	13	Electric dipole moment :	2.641
XLogP :	-2.852	VDW volume :	672.974502
Molecular weight :	802.216773	HOMO-LUMO gap :	7.960000

Herb list :

Turnip - Brassica rapa - شلغم

Refrences & Litretures:


504. Journal:'J Sci Food Agric' Year:'2012' Volume:'98' Page:'1716' DOI:'10.1002/jsfa.5537' Title:'Chemical composition, antioxidant and antimicrobial properties of Rapa Catozza Napoletana (Brassica rapa L. var. rapa DC.) seed meal, a promising protein source of Campania region (southern Italy) horticultural germplasm'

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