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Astragaloside I

CAT: 0804-HY-N0432-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N0432-01Size:5 mg
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Description
Astragaloside I, one of the main active ingredients in Astragalus membranaceus, has osteogenic properties. Astragaloside I stimulates osteoblast differentiation through activating the Wnt/β-catenin signaling pathway[1].
CAS Number
84680-75-1
Product Name Alternative
Astrasieversianin IV; Cyclosieversioside B
UNSPSC
12352005
Target
Wnt; β-catenin
Type
Natural Products
Related Pathways
Stem Cell/Wnt
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/Astragaloside-I.html
Purity
99.81
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
C[C@]12[C@@]3([H])[C@@]4(CC[C@@]1([C@]([C@@]5(O[C@@H](CC5)C(C)(O)C)C)([H])[C@H](C2)O)C)[C@@]6([C@@](C(C)([C@H](CC6)O[C@H]7[C@@H]([C@H]([C@@H](CO7)O)OC(C)=O)OC(C)=O)C)([H])[C@H](C3)O[C@@H]8O[C@@H]([C@H]([C@@H]([C@H]8O)O)O)CO)C4
Molecular Formula
C45H72O16
Molecular Weight
869.04
References & Citations
[1]Xun Cheng, et al. Astragaloside I Stimulates Osteoblast Differentiation Through the Wnt/β-catenin Signaling Pathway. Phytother Res. 2016 Oct;30 (10) :1680-1688.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Astragaloside I

Astragaloside I is a triterpenoid saponin that is cycloastragenol glycosylated at positions 3 and 6 by 2,3-di-O-acetyl-beta-D-xylosyl and beta-D-glucosyl residues respectively. It has a role as a plant metabolite. It is a beta-D-glucoside, a pentacyclic triterpenoid, a member of oxolanes, a triterpenoid saponin and a monosaccharide derivative. It is functionally related to a cycloastragenol.

CAS Number84680-75-1
PubChem CID13996685
IUPAC Name[(2S,3R,4S,5R)-3-acetyloxy-5-hydroxy-2-[[(1S,3R,6S,8R,9S,11S,12S,14S,15R,16R)-14-hydroxy-15-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-9-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]oxan-4-yl] acetate
Molecular FormulaC45H72O16
Molecular Weight869.0
XLogP2.4
Topological Polar Surface Area240
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count16
Rotatable Bond Count11
Heavy Atom Count61
Formal Charge0
Complexity1690
SMILES
CC(=O)O[C@H]1[C@@H](CO[C@H]([C@@H]1OC(=O)C)O[C@H]2CC[C@]34C[C@]35CC[C@@]6([C@H]([C@H](C[C@]6([C@@H]5C[C@@H]([C@H]4C2(C)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C)O)[C@]8(CC[C@H](O8)C(C)(C)O)C)C)O
InChI
InChI=1S/C45H72O16/c1-21(47)56-33-24(50)19-55-38(34(33)57-22(2)48)60-28-11-13-45-20-44(45)15-14-41(7)35(43(9)12-10-29(61-43)40(5,6)54)23(49)17-42(41,8)27(44)16-25(36(45)39(28,3)4)58-37-32(53)31(52)30(51)26(18-46)59-37/h23-38,46,49-54H,10-20H2,1-9H3/t23-,24+,25-,26+,27-,28-,29-,30+,31-,32+,33-,34+,35-,36-,37+,38-,41+,42-,43+,44-,45+/m0/s1
InChIKey
KXHCYYSIAXMSPA-OOCCOBHWSA-N
Chemical Structure
2D Structure
2D structure of Astragaloside I
CAS: 84680-75-1
CID: 13996685
Formula: C45H72O16
MW: 869.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight869.0
XLogP32.4
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count16
Rotatable Bond Count11
Exact Mass868.48203620
Monoisotopic Mass868.48203620
Topological Polar Surface Area240 Ų
Heavy Atom Count61
Formal Charge0
Complexity1690
Isotope Atom Count0
Defined Atom Stereocenter Count21
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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