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AG00DGQO

52012-29-0 | APIGENIN-6-ARABINOSIDE-8-GLUCOSIDE

AG00DGQO

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CAS Number	52012-29-0
Catalog Number	AG00DGQO(AGN-PC-0SBXDD)
Chemical Name	APIGENIN-6-ARABINOSIDE-8-GLUCOSIDE
IUPAC Name	5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-6-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one
InChI	InChI=1S/C26H28O14/c27-6-13-18(32)21(35)23(37)26(40-13)16-20(34)15(25-22(36)17(31)11(30)7-38-25)19(33)14-10(29)5-12(39-24(14)16)8-1-3-9(28)4-2-8/h1-5,11,13,17-18,21-23,25-28,30-37H,6-7H2/t11-,13+,17-,18+,21-,22+,23+,25-,26-/m0/s1
InChI Key	OVMFOVNOXASTPA-VYUBKLCTSA-N
MDL Number	MFCD00210518
Molecular Formula	C26H28O14
Molecular Weight	564.4921
SMILES	OC1=C2C(C=C(OC2=C(C(=C1[C@@H]1OC[C@@H]([C@@H]([C@H]1O)O)O)O)[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)C1=CC=C(C=C1)O)=O
Synonyms	isoschaftoside, Isoschaftoside, 52012-29-0, UNII-H27X8715V3, CHEBI:75589, H27X8715V3, 4H-1-Benzopyran-4-one, 6-alpha-L-arabinopyranosyl-8-beta-D-glucopyranosyl-5,7-dihydroxy-2-(4-hydroxyphenyl)-, AC1MJ3NZ, Apigenin 6-C-alpha-L-arabinopyranoside-8-C-beta-D-glucopyranoside, SCHEMBL5082977, CHEMBL2437365, 8157AH, MFCD00210518, ZINC59730688, AKOS030573652, apigenin 6-C-arabinoside 8-C-glucoside, FT-0698519, 6-C-alpha-L-arabinopyranosyl-8-C-beta-D-glucosylapigenin, 5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-6-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]-6-[(2S,3R,4S,5S)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]-4H-chromen-4-one, Isoshaftoside, C26H28O14, ACN-047092, CID3084995, C26-H28-O14, C515113,

Complexity	938
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	9
Defined Bond Stereocenter Count	0
Exact Mass	564.148g/mol
Formal Charge	0
Heavy Atom Count	40
Hydrogen Bond Acceptor Count	14
Hydrogen Bond Donor Count	10
Isotope Atom Count	0
Molecular Weight	564.496g/mol
Monoisotopic Mass	564.148g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	247A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-2.2

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Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

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Reviewed by:Jessie

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Angene International Limited