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Vitexin-2-O-rhaMnoside

CAT: 1568-C11043-1mgSize: 1 mgDry Ice: NoHazardous: No
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CAT#:1568-C11043-1mgSize:1 mg
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CAS Number
64820-99-1
Synonyms
2''-O-Rhamnosylvitexin, Apigenin-8-C-glucoside
Target
Others
Applications
Others
Smiles
CC1C (C (C (C (O1) OC2C (C (C (OC2C3=C (C=C (C4=C3OC (=CC4=O) C5=CC=C (C=C5) O) O) O) CO) O) O) O) O) O
Molecular Formula
C27H30O14
Additionnal Information
Vitexin-2-O-rhamnoside (2''-O-Rhamnosylvitexin, Apigenin-8-C-glucoside) is one of the main components of flavonoid of the leaves of Crataegus pinnatifida Bge. var major N. E. Br. It has many biological and pharmacological activities, such as antioxidation and treating heart disease.
Storage Conditions
3 years -20°C powder

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...
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