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Melittoside

CAT: 1410-M23884-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M23884-01Size:5 mg
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Description
Melittoside is a natural product and may have antioxidant activity.
CAS Number
19467-03-9
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
524.47
Molecular Formula
C21H32O15
Notes
Research use only, not for human use.
Receptor
Antioxidant

Chemical Information

Melittoside

Melittoside is a glycoside and an iridoid monoterpenoid.

CAS Number19467-03-9
PubChem CID11968737
IUPAC Name(2S,3R,4S,5S,6R)-2-[[(1S,4aS,5R,7aR)-5-hydroxy-7-(hydroxymethyl)-4a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,7a-dihydro-1H-cyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular FormulaC21H32O15
Molecular Weight524.5
XLogP-5.7
Topological Polar Surface Area248
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count15
Rotatable Bond Count7
Heavy Atom Count36
Formal Charge0
Complexity823
SMILES
C1=CO[C@H]([C@H]2[C@@]1([C@@H](C=C2CO)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
InChI
InChI=1S/C21H32O15/c22-4-7-3-10(25)21(36-20-17(31)15(29)13(27)9(6-24)34-20)1-2-32-18(11(7)21)35-19-16(30)14(28)12(26)8(5-23)33-19/h1-3,8-20,22-31H,4-6H2/t8-,9-,10-,11+,12-,13-,14+,15+,16-,17-,18+,19+,20+,21-/m1/s1
InChIKey
LZKBAGSBRBMVBE-GVKBFFPQSA-N
Chemical Structure
2D Structure
2D structure of Melittoside
CAS: 19467-03-9
CID: 11968737
Formula: C21H32O15
MW: 524.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight524.5
XLogP3-5.7
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count15
Rotatable Bond Count7
Exact Mass524.17412031
Monoisotopic Mass524.17412031
Topological Polar Surface Area248 Ų
Heavy Atom Count36
Formal Charge0
Complexity823
Isotope Atom Count0
Defined Atom Stereocenter Count14
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
M38416Melilotoside

Alternative Products

CatalogName
TQ0269-01Melittoside
HY-N0915RMelittoside (Standard)

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