AG0008Z1

113558-15-9 | 4H-1-Benzopyran-4-one, 3-[(6-deoxy-α-L-mannopyranosyl)oxy]-5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-buten-1-yl)-

AG0008Z1

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CAS Number	113558-15-9
Catalog Number	AG0008Z1(AGN-PC-0P51KQ)
Chemical Name	4H-1-Benzopyran-4-one, 3-[(6-deoxy-α-L-mannopyranosyl)oxy]-5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-buten-1-yl)-
IUPAC Name	5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
InChI	InChI=1S/C27H30O10/c1-12(2)5-10-16-17(28)11-18(29)19-21(31)26(37-27-23(33)22(32)20(30)13(3)35-27)24(36-25(16)19)14-6-8-15(34-4)9-7-14/h5-9,11,13,20,22-23,27-30,32-33H,10H2,1-4H3/t13-,20-,22+,23+,27-/m0/s1
InChI Key	NGMYNFJANBHLKA-LVKFHIPRSA-N
MDL Number	MFCD15071140
Molecular Formula	C27H30O10
Molecular Weight	514.5211
SMILES	[C@@H]1([C@H](O)[C@H](O)[C@@H](O)[C@@H](O1)C)OC1=C(OC2=C(C1=O)C(=CC(=C2CC=C(C)C)O)O)C2=CC=C(C=C2)OC
Synonyms	3,5,7-trihydroxy-4'-methoxyl-8-prenylflavone-3-O-rhamnopyranoside, baohuoside I, icarisid II, icariside II, Baohuoside I, 113558-15-9, Icariside II, Baohuoside-I, CHEBI:82619, Icarlin II, Icariside-II, Baohuoside I;, Icariin-II, Icarisid II;, AC1NUQWY, 3,5,7-Trihydroxy-4'-methoxyl-8-prenylflavone-3-O-rhamnopyranoside, CHEMBL560116, SCHEMBL4229321, DTXSID40150457, 2h44, HY-N0011, C27H30O10, MFCD15071140, ZINC70455423, CS-3673, 4H-1-Benzopyran-4-one, 3-((6-deoxy-alpha-L-mannopyranosyl)oxy)-5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-butenyl)-, anhydroicaritin-3-O-alpha-L-rhamnopyranoside, FT-0686579, N2538, Y0106, Q-100071, 3,5,7-trihydroxy-4'-methoxy-8-prenylflavone-3-O-rhamnopyranoside, 3,5,7-trihydroxy-4'-methoxy-8-prenylflavone-3-O-alpha-L-rhamnopyranoside, 4H-1-Benzopyran-4-one, 3-[(6-deoxy-alpha-L-mannopyranosyl)oxy]-5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-buten-1-yl)-, 5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-en-1-yl)-4-oxo-4H-chromen-3-yl 6-deoxy-alpha-L-mannopyranoside, 5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one, Anhydroicaritin, ICARISID II, Baohuoside I (Icariside II), ACN-035297, CID5488822, C060988,

Complexity	874
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	5
Defined Bond Stereocenter Count	0
Exact Mass	514.184g/mol
Formal Charge	0
Heavy Atom Count	37
Hydrogen Bond Acceptor Count	10
Hydrogen Bond Donor Count	5
Isotope Atom Count	0
Molecular Weight	514.527g/mol
Monoisotopic Mass	514.184g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	155A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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