7-[[6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-2H-1-benzopyran-2-one

ScientificNameLabel

7-[[6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-2H-1-benzopyran-2-one
PHCD compound ID :	3441
Chemical Names :	7-[[6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-2H-1-benzopyran-2-one
Molecular Formula :	C21H26O12
Molecular Weight :	470.142426

More Details :

Names & Synonyms:
Smiles:	O=c1ccc2c(o1)cc(cc2)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)[C@H]([C@@H]([C@H]1O)O)O
InChi :	InChI=1S/C21H26O12/c1-8-14(23)16(25)18(27)20(30-8)29-7-12-15(24)17(26)19(28)21(33-12)31-10-4-2-9-3-5-13(22)32-11(9)6-10/h2-6,8,12,14-21,23-28H,7H2,1H3/t8-,12+,14-,15+,16+,17-,18+,19+,20+,21+/m0/s1
InChi Key :	InChIKey=YHDXKMHPOOQARK-NHYAYHNCSA-N
PubChem ID :

Rotatable bond count :	5	Rule of five :	2
Hydrogen bond acceptor count :	12	Ionization potential :	9.270612
Hydrogen bond donor count :	6	Electric dipole moment :	5.227
XLogP :	-1.41	VDW volume :	403.746728
Molecular weight :	470.142426	HOMO-LUMO gap :	8.257000

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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