AG00EAE7

64820-99-1 | Vitexin-2-O-rhamnoside

AG00EAE7

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CAS Number	64820-99-1
Catalog Number	AG00EAE7(AGN-PC-0TE0FR)
Chemical Name	Vitexin-2-O-rhamnoside
EC Number	613-695-6
IUPAC Name	8-[(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]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
InChI	InChI=1S/C27H30O14/c1-9-19(33)21(35)23(37)27(38-9)41-26-22(36)20(34)16(8-28)40-25(26)18-13(31)6-12(30)17-14(32)7-15(39-24(17)18)10-2-4-11(29)5-3-10/h2-7,9,16,19-23,25-31,33-37H,8H2,1H3/t9-,16+,19-,20+,21+,22-,23+,25-,26+,27-/m0/s1
InChI Key	LYGPBZVKGHHTIE-HUBYJIGHSA-N
MDL Number	MFCD29913069
Molecular Formula	C27H30O14
Molecular Weight	578.5187
SMILES	O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O)CO)C=1C(=CC(=C2C(C=C(OC12)C1=CC=C(C=C1)O)=O)O)O)O[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)C
UNII	UD7Y63I5X5
Synonyms	vitexin-2-O-rhamnoside, Vitexin-2''-rhamnoside, 64820-99-1, Vitexin-2-O-rhamnoside, Vitexin 2''-rhamnoside, UNII-UD7Y63I5X5, 2-O-Rhamnosylvitexin, Apigenin-8-C-glucoside-2'-rhamnoside, Vitexin 2''-O-rhamnoside, Vitexin-2''-O-rhamnoside, 2''-O-Rhamnosylvitexin, UD7Y63I5X5, CHEBI:32298, vitexin 2''-O-alpha-L-rhamnoside, (1S)-1,5-anhydro-2-O-(6-deoxy-alpha-L-mannopyranosyl)-1-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl]-D-glucitol, (1S)-1,5-anhydro-2-O-(alpha-L-rhamnopyranosyl)-1-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl]-D-glucitol, 8-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one, Vitexin 2-O-rhamnoside, AC1NQZK5, Vitexin 2"-O-rhamnoside, MEGxp0_001018, SCHEMBL1954688, CHEMBL1685070, ACon1_001257, DTXSID20215119, EBD42622, KS-00000H9G, ZINC4654801, AKOS015897136, MCULE-4369219700, NCGC00169526-01, AN-10376, Vitexin 2-O-rhamnoside, analytical standard, C12628, I07-0297, BRD-K00786504-001-01-8, Vitexin 2-O-rhamnoside, primary pharmaceutical reference standard, 4H-1-Benzopyran-4-one,8-[2-O-(6-deoxy-a-L-mannopyranosyl)-b-D-glucopyranosyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-, 8-[(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]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one, Vitexin rhamnoside, Apigenin-8-C-glucoside, Vitexin 2''-O-beta-L-rhamnoside, CS-BS-00310, ACN-035537, CID5282151, C27-H30-O14,

Complexity	954
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	10
Defined Bond Stereocenter Count	0
Exact Mass	578.164g/mol
Formal Charge	0
Heavy Atom Count	41
Hydrogen Bond Acceptor Count	14
Hydrogen Bond Donor Count	9
Isotope Atom Count	0
Molecular Weight	578.523g/mol
Monoisotopic Mass	578.164g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	236A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.9

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

Lot Number