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Hosenkoside F

CAT: 0931-TN1743-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-TN1743-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
160896-45-7
Target
Others
Related Pathways
Others
Purity
0.98
Bioactivity
Hosenkoside F is a natural glycoside applicable for biochemical experiments and drug synthesis research.
Smiles
C[C@]12[C@@]([C@]3(C)[C@@](CC1)([C@@](CO)(C)[C@@H](O[C@H]4[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O)CO5)[C@@H](O)[C@H](O)[C@@H](CO)O4)CC3)[H])(CC[C@]6([C@@]2(C)CC[C@]7([C@@H]6O)CC[C@]([C@@H](CO[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)C)(OC7)[H])[H])[H]
Molecular Formula
C47H80O19
Molecular Weight
949.13
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Hosenkoside F

Hosenkoside F has been reported in Impatiens balsamina with data available.

CAS Number160896-45-7
PubChem CID125181875
IUPAC Name(2R,3R,4S,5S,6R)-2-[(2R)-2-[(1R,2S,2'R,4aR,4bR,6aR,7R,8S,10aR,10bR,12aS)-8-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-1-hydroxy-7-(hydroxymethyl)-4a,4b,7,10a-tetramethylspiro[3,4,5,6,6a,8,9,10,10b,11,12,12a-dodecahydro-1H-chrysene-2,5'-oxane]-2'-yl]propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular FormulaC47H80O19
Molecular Weight949.1
XLogP0.3
Topological Polar Surface Area307
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count19
Rotatable Bond Count11
Heavy Atom Count66
Formal Charge0
Complexity1650
SMILES
C[C@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)[C@H]2CC[C@@]3(CC[C@@]4([C@@H]([C@H]3O)CC[C@H]5[C@]4(CC[C@@H]6[C@@]5(CC[C@@H]([C@@]6(C)CO)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](CO8)O)O)O)C)C)C)CO2
InChI
InChI=1S/C47H80O19/c1-22(18-60-40-37(58)34(55)32(53)26(16-48)63-40)25-8-13-47(21-62-25)15-14-45(4)23(39(47)59)6-7-29-43(2)11-10-30(44(3,20-50)28(43)9-12-46(29,45)5)65-42-38(35(56)33(54)27(17-49)64-42)66-41-36(57)31(52)24(51)19-61-41/h22-42,48-59H,6-21H2,1-5H3/t22-,23-,24-,25-,26-,27-,28-,29-,30+,31+,32-,33-,34+,35+,36-,37-,38-,39-,40-,41+,42+,43+,44+,45-,46-,47-/m1/s1
InChIKey
XSQFDXNJFMCRGJ-AEXYCVCISA-N
Chemical Structure
2D Structure
2D structure of Hosenkoside F
CAS: 160896-45-7
CID: 125181875
Formula: C47H80O19
MW: 949.1
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight949.1
XLogP30.3
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count19
Rotatable Bond Count11
Exact Mass948.52938032
Monoisotopic Mass948.52938032
Topological Polar Surface Area307 Ų
Heavy Atom Count66
Formal Charge0
Complexity1650
Isotope Atom Count0
Defined Atom Stereocenter Count26
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes