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Vitexin-2"-o-rhamnoside

CAT: 0127-OR1023070-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1023070-01Size:100 mg
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CAS Number
64820-99-1
Synonyms
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
Purity
98%
Smiles
C[C@H]1[C@@H] ([C@H] ([C@H] ([C@@H] (O1) O[C@@H]2[C@H] ([C@@H] ([C@H] (O[C@H]2C3=C (C=C (C4=C3OC (=CC4=O) C5=CC=C (C=C5) O) O) O) CO) O) O) O) O) O

Chemical Information

Vitexin 2''-O-rhamnoside

Vitexin 2''-O-alpha-L-rhamnoside is a derivative of vitexin having an alpha-L-rhamnosyl residue attached at the 2''-position of the glucitol moiety. It has a role as a plant metabolite. It is a C-glycosyl compound, a trihydroxyflavone and a disaccharide derivative. It is functionally related to a vitexin. It is a conjugate acid of a vitexin 2''-O-alpha-L-rhamnoside(1-).

CAS Number64820-99-1
PubChem CID5282151
IUPAC Name8-[(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
Molecular FormulaC27H30O14
Molecular Weight578.5
XLogP-0.9
Topological Polar Surface Area236
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count14
Rotatable Bond Count5
Heavy Atom Count41
Formal Charge0
Complexity954
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2C3=C(C=C(C4=C3OC(=CC4=O)C5=CC=C(C=C5)O)O)O)CO)O)O)O)O)O
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
InChIKey
LYGPBZVKGHHTIE-HUBYJIGHSA-N
Chemical Structure
2D Structure
2D structure of Vitexin 2''-O-rhamnoside
CAS: 64820-99-1
CID: 5282151
Formula: C27H30O14
MW: 578.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight578.5
XLogP3-0.9
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count14
Rotatable Bond Count5
Exact Mass578.16355563
Monoisotopic Mass578.16355563
Topological Polar Surface Area236 Ų
Heavy Atom Count41
Formal Charge0
Complexity954
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
468747-01Vitexin-2-O-Rhamnoside
AB0625Vitexin 2''-O-rhamnoside
M18951-01Vitexin-2''-O-rhamnoside
HY-N0534-01Vitexin-2"-O-rhamnoside
sc-506122Vitexin 2-O-rhamnoside
N1492-20vitexin-2″-o-rhamnoside
HY-N0534RVitexin-2"-O-rhamnoside (Standard)
372065Vitexin 2''-O-rhamnoside discontinued
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MBS5763305Vitexin 2''-O-(4'''-O-acetyl)rhamnoside

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