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Isoastragaloside II

CAT: 0804-HY-N0888-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N0888-01Size:5 mg
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Description
Isoastragaloside II is an astragaloside extracted from the hairy root culture of Astragalus.
CAS Number
86764-11-6
Product Name Alternative
Astrasieversianin-VII
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/Isoastragaloside-II.html
Purity
99.83
Solubility
DMSO : 50 mg/mL (ultrasonic)
Smiles
C[C@]([C@@]1(CC2)C)(C[C@H](O)[C@]1([H])[C@@]3(O[C@H](C(C)(O)C)CC3)C)[C@@](C[C@H](O[C@]([C@@H]([C@@H](O)[C@@H]4O)O)([H])O[C@@H]4CO)[C@@]5([H])C6(C)C)([H])[C@@]72[C@]5(CC[C@@H]6O[C@@](OC[C@@H](O)[C@@H]8OC(C)=O)([H])[C@@H]8O)C7
Molecular Formula
C43H70O15
Molecular Weight
827.01
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

Isoastragaloside II

Isoastragaloside II is a cucurbitacin and a glycoside.

CAS Number86764-11-6
PubChem CID60148655
IUPAC Name[(2S,3R,4S,5R)-3,5-dihydroxy-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 FormulaC43H70O15
Molecular Weight827.0
XLogP1.8
Topological Polar Surface Area234
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count15
Rotatable Bond Count9
Heavy Atom Count58
Formal Charge0
Complexity1580
SMILES
CC(=O)O[C@H]1[C@@H](CO[C@H]([C@@H]1O)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/C43H70O15/c1-20(45)54-32-22(47)18-53-35(31(32)51)57-26-10-12-43-19-42(43)14-13-39(6)33(41(8)11-9-27(58-41)38(4,5)52)21(46)16-40(39,7)25(42)15-23(34(43)37(26,2)3)55-36-30(50)29(49)28(48)24(17-44)56-36/h21-36,44,46-52H,9-19H2,1-8H3/t21-,22+,23-,24+,25-,26-,27-,28+,29-,30+,31+,32-,33-,34-,35-,36+,39+,40-,41+,42-,43+/m0/s1
InChIKey
SMZYCXAYGPGYRS-NGTUZWGPSA-N
Chemical Structure
2D Structure
2D structure of Isoastragaloside II
CAS: 86764-11-6
CID: 60148655
Formula: C43H70O15
MW: 827.0
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight827.0
XLogP31.8
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count15
Rotatable Bond Count9
Exact Mass826.47147152
Monoisotopic Mass826.47147152
Topological Polar Surface Area234 Ų
Heavy Atom Count58
Formal Charge0
Complexity1580
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