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Anemarrhenasaponin A2

CAT: 1410-M21915-01Size: 1 EachDry Ice: NoHazardous: No
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Description
Anemarrhenasaponin A2 (Schidigerasaponin F2) is a steroidal saponin isolated from the rhizomes of Anemarrhena asphodeloides. Anemarrhenasaponin A2 inhibits ADP-induced platelet aggregation.
CAS Number
117210-12-5
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
756.92
Molecular Formula
C₃₉H₆₄O₁₄
Notes
Research use only, not for human use.
Receptor
Other Targets

Chemical Information

Anemarrhenasaponin A2

Anemarrhenasaponin A2 has been reported in Yucca schidigera and Anemarrhena asphodeloides with data available.

CAS Number117210-12-5
PubChem CID21603431
IUPAC Name(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(1R,2S,4S,5'S,6R,7S,8R,9S,12S,13S,15S,16R,18R)-15-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular FormulaC39H64O14
Molecular Weight756.9
XLogP2.3
Topological Polar Surface Area217
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count14
Rotatable Bond Count6
Heavy Atom Count53
Formal Charge0
Complexity1310
SMILES
C[C@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC[C@H]6[C@@]5(C[C@@H]([C@@H](C6)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)C)C)C)OC1
InChI
InChI=1S/C39H64O14/c1-17-7-10-39(48-16-17)18(2)28-25(53-39)12-22-20-6-5-19-11-24(23(42)13-38(19,4)21(20)8-9-37(22,28)3)49-36-34(32(46)30(44)27(15-41)51-36)52-35-33(47)31(45)29(43)26(14-40)50-35/h17-36,40-47H,5-16H2,1-4H3/t17-,18-,19+,20+,21-,22-,23-,24+,25-,26+,27+,28-,29+,30-,31-,32-,33+,34+,35-,36+,37-,38-,39+/m0/s1
InChIKey
ZGVRGXGXZKITGK-OVTRSHBNSA-N
Chemical Structure
2D Structure
2D structure of Anemarrhenasaponin A2
CAS: 117210-12-5
CID: 21603431
Formula: C39H64O14
MW: 756.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight756.9
XLogP32.3
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count14
Rotatable Bond Count6
Exact Mass756.42960671
Monoisotopic Mass756.42960671
Topological Polar Surface Area217 Ų
Heavy Atom Count53
Formal Charge0
Complexity1310
Isotope Atom Count0
Defined Atom Stereocenter Count23
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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