AG002HZ6

18916-17-1 | 1-Propanone, 1-[4-[[2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-2,6-dihydroxyphenyl]-3-(4-hydroxyphenyl)-

AG002HZ6

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CAS Number	18916-17-1
Catalog Number	AG002HZ6(AGN-PC-0QIJ2J)
Chemical Name	1-Propanone, 1-[4-[[2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-2,6-dihydroxyphenyl]-3-(4-hydroxyphenyl)-
EC Number	700-320-7
FEMA Number	4495
IUPAC Name	1-[4-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,6-dihydroxyphenyl]-3-(4-hydroxyphenyl)propan-1-one
InChI	InChI=1S/C27H34O14/c1-11-20(33)22(35)24(37)26(38-11)41-25-23(36)21(34)18(10-28)40-27(25)39-14-8-16(31)19(17(32)9-14)15(30)7-4-12-2-5-13(29)6-3-12/h2-3,5-6,8-9,11,18,20-29,31-37H,4,7,10H2,1H3/t11-,18+,20-,21+,22+,23-,24+,25+,26-,27+/m0/s1
InChI Key	CWBZAESOUBENAP-QVNVHUMTSA-N
MDL Number	MFCD00798060
Molecular Formula	C27H34O14
Molecular Weight	582.5505
SMILES	C1([C@H](O)[C@H](O)[C@@H](O)[C@@H](O1)C)O[C@H]1C(O[C@@H]([C@H]([C@@H]1O)O)CO)OC1=CC(=C(C(=C1)O)C(CCC1=CC=C(C=C1)O)=O)O
UNII	7233QDO0QW
Synonyms	4',5,7-trihydroxyflavanone 7-rhamnoglucoside, aurantiin, Cyclorel, naringenin-7-hesperidoside, naringin, naringin dihydrochalcone, naringin sodium, naringin dihydrochalcone, Naringin DC, 18916-17-1, UNII-7233QDO0QW, 7233QDO0QW, FEMA no. 4495, 1-Propanone, 1-(4-((2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2,6-dihydroxyphenyl)-3-(4-hydroxyphenyl)-, EC 700-320-7, SCHEMBL3119273, KS-00000KES, CWBZAESOUBENAP-QVNVHUMTSA-N, Phloretin, 4'-(2-O-alpha-L-rhamno-beta-D-glucopyranoside), HY-N0119, naringin dihydrochalcone, AldrichCPR, MFCD08436145, s2389, Naringin-Dihydrochalcone(Naringin-DC), AKOS022168204, ZINC100867016, CS-6414, Naringin Dihydrochalcone (Naringin DC), NCGC00346603-02, 3,5-Dihydroxy-4-(3-(4-hydroxyphenyl)propanoyl)phenyl 2-O-(6-deoxy-alpha-dmannopyranosyl)-beta-D-gulopyranoside, AS-12149, Glucopyranoside, 3,5-dihydroxy-4-(p-hydroxyhydrocinnamoyl)phenyl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-, beta-D-, W-201689, 1-(4-(((2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-2,6-dihydroxyphenyl)-3-(4-hydroxyphenyl)propan-1-one, 1-(4-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-2,6-dihydroxyphenyl)-3-(4-hydroxyphenyl)propan-1-one, naringin, Naringindihydrochalcone, C27H34O14, ACN-035750, CID9894584, CID 9894584, 10236-47-2,

Complexity	827
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	10
Defined Bond Stereocenter Count	0
Exact Mass	582.195g/mol
Formal Charge	0
Heavy Atom Count	41
Hydrogen Bond Acceptor Count	14
Hydrogen Bond Donor Count	9
Isotope Atom Count	0
Molecular Weight	582.555g/mol
Monoisotopic Mass	582.195g/mol
Rotatable Bond Count	9
Topological Polar Surface Area	236A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.3

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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