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Agalloside

CAT: 0804-HY-N2740-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N2740-02Size:5 mg
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Description
Agalloside is a neural stem cell differentiation activator that can be found in Aquilaria agallocha[1].
CAS Number
221257-06-3
UNSPSC
12352005
Target
Sirtuin
Type
Natural Products
Related Pathways
Cell Cycle/DNA Damage; Epigenetics
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/agalloside.html
Purity
98.0
Solubility
10 mM in DMSO
Smiles
O=C1C=C(C2=CC=C(C=C2)OC)OC3=CC(OC)=CC(O[C@@H]4O[C@@H]([C@H]([C@@H]([C@H]4O)O)O)CO[C@H]5[C@@H]([C@H]([C@@H](CO5)O)O)O)=C31
Molecular Formula
C28H32O14
Molecular Weight
592.55
References & Citations
[1]Arai MA, et, al. Total synthesis of agalloside, isolated from Aquilaria agallocha, by the 5-O-glycosylation of flavan. Org Biomol Chem. 2017 Jun 14;15 (23) :5025-5032.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C (Powder, sealed storage, away from moisture and light)
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

7,4'-Di-O-methylapigenin 5-O-xylosylglucoside
CAS Number221257-06-3
PubChem CID21582635
IUPAC Name7-methoxy-2-(4-methoxyphenyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
Molecular FormulaC28H32O14
Molecular Weight592.5
XLogP-1.1
Topological Polar Surface Area203
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count14
Rotatable Bond Count8
Heavy Atom Count42
Formal Charge0
Complexity940
SMILES
COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C=C3O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO[C@H]5[C@@H]([C@H]([C@@H](CO5)O)O)O)O)O)O)OC
InChI
InChI=1S/C28H32O14/c1-36-13-5-3-12(4-6-13)17-9-15(29)21-18(40-17)7-14(37-2)8-19(21)41-28-26(35)24(33)23(32)20(42-28)11-39-27-25(34)22(31)16(30)10-38-27/h3-9,16,20,22-28,30-35H,10-11H2,1-2H3/t16-,20-,22+,23-,24+,25-,26-,27+,28-/m1/s1
InChIKey
ZTYIRUZJISZADH-AQLOEVPPSA-N
Chemical Structure
2D Structure
2D structure of 7,4'-Di-O-methylapigenin 5-O-xylosylglucoside
CAS: 221257-06-3
CID: 21582635
Formula: C28H32O14
MW: 592.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight592.5
XLogP3-1.1
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count14
Rotatable Bond Count8
Exact Mass592.17920569
Monoisotopic Mass592.17920569
Topological Polar Surface Area203 Ų
Heavy Atom Count42
Formal Charge0
Complexity940
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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