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Vitexin-4''-O-Glucoside

CAT: 1299-RM-V031403-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-V031403-01Size:10 mg
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CAS Number
178468-00-3
Synonyms
8- ((2S,3R,4R,5S,6R) -3,4-dihydroxy-6- (hydroxymethyl) -5- (((2S,3R,4S,5S,6R) -3,4,5-trihydroxy-6- (hydroxymethyl) tetrahydro-2H-pyran-2-yl) oxy) tetrahydro-2H-pyran-2-yl) -5,7-dihydroxy-2- (4-hydroxyphenyl) -4H-chromen-4-one
Molecular Formula
C27H30O15
Molecular Weight
594.52
Target Alternative Name
Vitexin
Product Name Synonym
8- ((2S,3R,4R,5S,6R) -3,4-dihydroxy-6- (hydroxymethyl) -5- (((2S,3R,4S,5S,6R) -3,4,5-trihydroxy-6- (hydroxymethyl) tetrahydro-2H-pyran-2-yl) oxy) tetrahydro-2H-pyran-2-yl) -5,7-dihydroxy-2- (4-hydroxyphenyl) -4H-chromen-4-one

Chemical Information

(1S)-1,5-Anhydro-1-(5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-8-yl)-4-O-beta-D-glucopyranosyl-D-glucitol

Vitexin glucoside is a C-glycosyl compound and a member of flavonoids.

CAS Number178468-00-3
PubChem CID56776173
IUPAC Name8-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
Molecular FormulaC27H30O15
Molecular Weight594.5
XLogP-1.9
Topological Polar Surface Area256
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count15
Rotatable Bond Count6
Heavy Atom Count42
Formal Charge0
Complexity971
SMILES
C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O
InChI
InChI=1S/C27H30O15/c28-7-15-19(34)20(35)23(38)27(41-15)42-24-16(8-29)40-26(22(37)21(24)36)18-12(32)5-11(31)17-13(33)6-14(39-25(17)18)9-1-3-10(30)4-2-9/h1-6,15-16,19-24,26-32,34-38H,7-8H2/t15-,16-,19-,20+,21-,22-,23-,24-,26+,27+/m1/s1
InChIKey
NDSUKTASTPEKBX-LXXMDOISSA-N
Chemical Structure
2D Structure
2D structure of (1S)-1,5-Anhydro-1-(5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-8-yl)-4-O-beta-D-glucopyranosyl-D-glucitol
CAS: 178468-00-3
CID: 56776173
Formula: C27H30O15
MW: 594.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight594.5
XLogP3-1.9
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count15
Rotatable Bond Count6
Exact Mass594.15847025
Monoisotopic Mass594.15847025
Topological Polar Surface Area256 Ų
Heavy Atom Count42
Formal Charge0
Complexity971
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
TRC-G667890-2.5MGVitexin-4-O-glucoside
BUP00019-01Vitexin-4''-O-glucoside
TBZ2163Vitexin 4''-O-glucoside
MBS5750345Vitexin -4''-O-glucoside
M38636-01Vitexin 4-O-glucoside
AR-V06853-01Vitexin 4-O-Glucoside"
372066Vitexin 4''-O-glucoside discontinued
HY-N17717Vitexin-2''-O-glucoside
HY-N4085-01Vitexin 4'-glucoside
300371Glucosylvitexin (4'-O-Glucosylvitexin, Vitexin-4'-O-Glucoside)

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