AC1L4J5E

2-(3-hydroxyphenyl)-2-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxyacetonitrile

Also Known As: Benzeneacetonitrile, 3-hydroxy-alpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-, (alphaS)-|(3-Hydroxyphenyl)[(6-O-pentopyranosylhexopyranosyl)oxy]acetonitrile|2-(3-hydroxyphenyl)-2-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxyacetonitrile|Benzeneacetonitrile,3-hydroxy-a-[(6-O-b-D-xylopyranosyl-b-D-glucopyranosyl)oxy]-, (aS)- (9CI)

Molecular Formula	C19H25NO11
Molecular Weight	443.14276 g/mol
LogP	-3.0
Topological Polar Surface Area	202.0 Ų
Hydrogen Bond Donors	7
Hydrogen Bond Acceptors	12
Rotatable Bonds	6
Exact Mass	443.14276
Monoisotopic Mass	443.14276
Heavy Atoms	31
Complexity	629.0

Chemical Identifiers

CAS Number	82083-98-5
SMILES	C1C(C(C(C(O1)OCC2C(C(C(C(O2)OC(C#N)C3=CC(=CC=C3)O)O)O)O)O)O)O
InChIKey	KVKFUQZWWCGWAN-UHFFFAOYSA-N