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Reptoside

CAT: 1410-M37795-02Size: 5 mgDry Ice: NoHazardous: No
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Description
Reptoside, which can be extracted from the roots and above-ground parts of Cortex Eucommiae and Ajuga chamaepitys (L.) Schreb, is one of the active cyclic enol ether terpene glycosides of Cortex Eucommiae for the treatment of osteoporosis.
CAS Number
53839-03-5
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
390.38
Molecular Formula
C17H26O10
Notes
Research use only, not for human use.
Receptor
Others

Chemical Information

Reptoside

Reptoside has been reported in Leonurus turkestanicus, Ajuga ciliata, and other organisms with data available.

CAS Number53839-03-5
PubChem CID44584096
IUPAC Name[(1S,4aS,7S,7aS)-4a-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-7-yl] acetate
Molecular FormulaC17H26O10
Molecular Weight390.4
XLogP-1.7
Topological Polar Surface Area155
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity596
SMILES
CC(=O)O[C@]1(CC[C@]2([C@@H]1[C@@H](OC=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)C
InChI
InChI=1S/C17H26O10/c1-8(19)27-16(2)3-4-17(23)5-6-24-15(13(16)17)26-14-12(22)11(21)10(20)9(7-18)25-14/h5-6,9-15,18,20-23H,3-4,7H2,1-2H3/t9-,10-,11+,12-,13-,14+,15+,16+,17+/m1/s1
InChIKey
BZSUBLJAJWNODC-JKWMHSRGSA-N
Chemical Structure
2D Structure
2D structure of Reptoside
CAS: 53839-03-5
CID: 44584096
Formula: C17H26O10
MW: 390.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight390.4
XLogP3-1.7
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Exact Mass390.15259702
Monoisotopic Mass390.15259702
Topological Polar Surface Area155 Ų
Heavy Atom Count27
Formal Charge0
Complexity596
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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