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Glomeratide A

CAT: 0804-HY-N12432-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N12432-01Size:1 mg
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Description
Glomeratide A is a benzophenone C-glucoside with hepatoprotective effects. Glomeratide A has a protective effect against d-galactosamine-induced hepatotoxicity in rat liver epithelial stem-like cells.
CAS Number
1072028-74-0
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/glomeratide-a.html
Solubility
10 mM in DMSO
Smiles
OC1=C([C@@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO)C(O)=C(C(O)=C1[C@@H]3O[C@@H]([C@H]([C@@H]([C@H]3O)O)O)CO)C(C4=CC(OC)=C(C=C4)O)=O
Molecular Formula
C26H32O16
Molecular Weight
600.52
References & Citations
[1]Li CJ, et al.Benzophenone C-glucosides from Polygala glomerata Lour. J Asian Nat Prod Res. 2008 Mar-Apr;10 (3-4) :329-36.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Glomeratide A
CAS Number1072028-74-0
PubChem CID24879122
IUPAC Name(4-hydroxy-3-methoxyphenyl)-[2,4,6-trihydroxy-3,5-bis[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]methanone
Molecular FormulaC26H32O16
Molecular Weight600.5
XLogP-2.6
Topological Polar Surface Area288
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count16
Rotatable Bond Count7
Heavy Atom Count42
Formal Charge0
Complexity860
SMILES
COC1=C(C=CC(=C1)C(=O)C2=C(C(=C(C(=C2O)[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)O)O
InChI
InChI=1S/C26H32O16/c1-40-9-4-7(2-3-8(9)29)15(30)12-18(33)13(25-23(38)21(36)16(31)10(5-27)41-25)20(35)14(19(12)34)26-24(39)22(37)17(32)11(6-28)42-26/h2-4,10-11,16-17,21-29,31-39H,5-6H2,1H3/t10-,11-,16-,17-,21+,22+,23-,24-,25+,26+/m1/s1
InChIKey
SPUNWOKDIZRYJZ-CFIYEIEJSA-N
Chemical Structure
2D Structure
2D structure of Glomeratide A
CAS: 1072028-74-0
CID: 24879122
Formula: C26H32O16
MW: 600.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight600.5
XLogP3-2.6
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count16
Rotatable Bond Count7
Exact Mass600.16903493
Monoisotopic Mass600.16903493
Topological Polar Surface Area288 Ų
Heavy Atom Count42
Formal Charge0
Complexity860
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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