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Scleropentaside D

CAT: 0804-HY-N13020Size: 1 EachDry Ice: NoHazardous: No
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Description
Scleropentaside D is a potent α-glycosidase inhibitor. Scleropentaside D has antioxidant activity[1][2].
CAS Number
1360110-49-1
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/scleropentaside-d.html
Smiles
O=C(C1=CC=CO1)[C@H]2[C@H](O)[C@@H](O)[C@H](OC3=O)[C@@H](COC(C4=CC(O)=C(O)C(O)=C4C5=C(O)C(O)=C(O)C=C53)=O)O2
Molecular Formula
C25H20O15
Molecular Weight
560.42
References & Citations
[1]Disadee W, et al. Unprecedented furan-2-carbonyl C-glycosides and phenolic diglycosides from Scleropyrum pentandrum. Phytochemistry. 2012 Feb;74:115-22.|[2]Fan NL, et al. Synthesis and Biological Activities of Scleropentaside D. J Org Chem. 2024 Jun 21;89 (12) :9098-9102.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

13-(Furan-2-carbonyl)-3,4,5,11,12,21,22,23-octahydroxy-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaene-8,18-dione
CAS Number1360110-49-1
PubChem CID76448256
IUPAC Name13-(furan-2-carbonyl)-3,4,5,11,12,21,22,23-octahydroxy-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaene-8,18-dione
Molecular FormulaC25H20O15
Molecular Weight560.4
XLogP0.8
Topological Polar Surface Area254
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count15
Rotatable Bond Count2
Heavy Atom Count40
Formal Charge0
Complexity976
SMILES
C1C2C(C(C(C(O2)C(=O)C3=CC=CO3)O)O)OC(=O)C4=CC(=C(C(=C4C5=C(C(=C(C=C5C(=O)O1)O)O)O)O)O)O
InChI
InChI=1S/C25H20O15/c26-9-4-7-13(18(31)15(9)28)14-8(5-10(27)16(29)19(14)32)25(36)40-22-12(6-38-24(7)35)39-23(21(34)20(22)33)17(30)11-2-1-3-37-11/h1-5,12,20-23,26-29,31-34H,6H2
InChIKey
ZASJDUZZBSXQTJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 13-(Furan-2-carbonyl)-3,4,5,11,12,21,22,23-octahydroxy-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaene-8,18-dione
CAS: 1360110-49-1
CID: 76448256
Formula: C25H20O15
MW: 560.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight560.4
XLogP30.8
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count15
Rotatable Bond Count2
Exact Mass560.08021993
Monoisotopic Mass560.08021993
Topological Polar Surface Area254 Ų
Heavy Atom Count40
Formal Charge0
Complexity976
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count5
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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