AG00EBHC

572-31-6 | (2R,3R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxy-chroman-4-one

AG00EBHC

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CAS Number	572-31-6
Catalog Number	AG00EBHC(AGN-PC-0SN721)
Chemical Name	(2R,3R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxy-chroman-4-one
IUPAC Name	(2R,3R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3-dihydrochromen-4-one
InChI	InChI=1S/C21H22O10/c1-8-15(25)17(27)18(28)21(29-8)31-20-16(26)14-12(24)6-11(23)7-13(14)30-19(20)9-2-4-10(22)5-3-9/h2-8,15,17-25,27-28H,1H3/t8-,15-,17+,18+,19+,20-,21-/m0/s1
InChI Key	VQUPQWGKORWZII-WDPYGAQVSA-N
MDL Number	MFCD11113110
Molecular Formula	C21H22O10
Molecular Weight	434.3934
SMILES	OC1=C2C([C@@H]([C@H](OC2=CC(=C1)O)C1=CC=C(C=C1)O)O[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)C)=O
Synonyms	engeletin, Engeletin, 572-31-6, AC1O57GI, MEGxp0_000364, SCHEMBL5575048, ACon1_000852, HY-N0436, MFCD01632717, ZINC33830716, AKOS037514632, NCGC00169295-01, 3-((6-Deoxy-alpha-L-mannopyranosyl)oxy)-2,3-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one (2R-trans)-, 4H-1-Benzopyran-4-one, 3-((6-deoxy-alpha-L-mannopyranosyl)oxy)-2,3-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-, (2R-trans)-, CS-0008955, W1552, 838A673, (2R,3R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3-dihydrochromen-4-one, (2R,3R)-5,7-DIHYDROXY-2-(4-HYDROXYPHENYL)-3-[(2S,3R,4R,5S,6S)-3,4,5-TRIHYDROXY-6-METHYL-OXAN-2-YL]OXY-CHROMAN-4-ONE, 4H-1-Benzopyran-4-one,3-[(6-deoxy-a-L-mannopyranosyl)oxy]-2,3-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-,(2R,3R)-, Astilbin, Engelitin, Taxifolin 3-rhamnoside, Dihydroquercetin 3-rhamnoside, C21H22O11, ACN-035442, CID6453452, C21-H22-O10, 29838-67-3, Engeletin, 98%, from Engelhardtia Roxb.iana Lindl. - 10MG 10mg,

Complexity	638
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	7
Defined Bond Stereocenter Count	0
Exact Mass	434.121g/mol
Formal Charge	0
Heavy Atom Count	31
Hydrogen Bond Acceptor Count	10
Hydrogen Bond Donor Count	6
Isotope Atom Count	0
Molecular Weight	434.397g/mol
Monoisotopic Mass	434.121g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	166A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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