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Hosenkoside G

CAT: 1407-AB1497Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1407-AB1497Size:10 mg
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CAS Number
160896-46-8
Purity
98% (HPLC)
Molecular Formula
C47H80O19
Molecular Weight
949.138

Chemical Information

Hosenkoside G

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

CAS Number160896-46-8
PubChem CID102004930
IUPAC Name(2R,3R,4S,5S,6R)-2-[[(1R,2S,4aR,4bR,6aS,7R,8R,10aR,10bR,12aR)-2-[(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-7-hydroxy-8-(hydroxymethyl)-8-[(Z)-5-hydroxy-4-methylpent-3-enyl]-1,4a,10a,10b-tetramethyl-3,4,4b,5,6,6a,7,9,10,11,12,12a-dodecahydro-2H-chrysen-1-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular FormulaC47H80O19
Molecular Weight949.1
XLogP0.7
Topological Polar Surface Area318
Hydrogen Bond Donor Count13
Hydrogen Bond Acceptor Count19
Rotatable Bond Count14
Heavy Atom Count66
Formal Charge0
Complexity1660
SMILES
C/C(=C/CC[C@@]1(CC[C@@]2([C@@H]([C@H]1O)CC[C@H]3[C@]2(CC[C@@H]4[C@@]3(CC[C@@H]([C@@]4(C)CO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O[C@H]7[C@@H]([C@H]([C@@H](CO7)O)O)O)C)C)C)CO)/CO
InChI
InChI=1S/C47H80O19/c1-23(17-48)7-6-12-47(21-51)16-15-45(4)24(39(47)60)8-9-29-43(2)13-11-30(65-42-38(35(57)33(55)27(19-50)64-42)66-40-36(58)31(53)25(52)20-61-40)44(3,28(43)10-14-46(29,45)5)22-62-41-37(59)34(56)32(54)26(18-49)63-41/h7,24-42,48-60H,6,8-22H2,1-5H3/b23-7-/t24-,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
AJUACYVEKRAXEB-QXJSNOIISA-N
Chemical Structure
2D Structure
2D structure of Hosenkoside G
CAS: 160896-46-8
CID: 102004930
Formula: C47H80O19
MW: 949.1
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight949.1
XLogP30.7
Hydrogen Bond Donor Count13
Hydrogen Bond Acceptor Count19
Rotatable Bond Count14
Exact Mass948.52938032
Monoisotopic Mass948.52938032
Topological Polar Surface Area318 Ų
Heavy Atom Count66
Formal Charge0
Complexity1660
Isotope Atom Count0
Defined Atom Stereocenter Count24
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes