steppogenin-7,4'-di-O-beta-D-glucoside

ScientificNameLabel

steppogenin-7,4'-di-O-beta-D-glucoside
PHCD compound ID :	3437
Chemical Names :	steppogenin-7,4'-di-O-beta-D-glucoside
Molecular Formula :	C27H32O16
Molecular Weight :	612.169035

More Details :

Names & Synonyms:
Smiles:	OC[C@H]1O[C@@H](Oc2ccc(c(c2)O)[C@@H]2CC(=O)c3c(O2)cc(cc3O)O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)[C@@H]([C@H]([C@@H]1O)O)O
InChi :	InChI=1S/C27H32O16/c28-7-17-20(33)22(35)24(37)26(42-17)39-9-1-2-11(12(30)3-9)15-6-14(32)19-13(31)4-10(5-16(19)41-15)40-27-25(38)23(36)21(34)18(8-29)43-27/h1-5,15,17-18,20-31,33-38H,6-8H2/t15-,17+,18+,20+,21+,22-,23-,24+,25+,26+,27+/m0/s1
InChi Key :	InChIKey=ZJKGZYLOMWQQSY-YGEVQDKLSA-N
PubChem ID :

Rotatable bond count :	7	Rule of five :	2
Hydrogen bond acceptor count :	16	Ionization potential :	9.266973
Hydrogen bond donor count :	10	Electric dipole moment :	6.423
XLogP :	-1.903	VDW volume :	514.154166
Molecular weight :	612.169035	HOMO-LUMO gap :	8.786000

Herb list :

Royal mulberry, Black mulberry - Morus nigra - شاه توت، شاتوت

Refrences & Litretures:


482. Journal:'J. Agric. Food Chem' Year:'2010' Volume:'58' Page:'5368' DOI:'10.1021/jf1003607' Title:'Tyrosinase Inhibitory Constituents from the Roots of Morus nigra: A Structure-Activity Relationship Study'

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