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Hosenkoside N

CAT: 0804-HY-N12053Size: 1 EachDry Ice: NoHazardous: No
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Description
Hosenkoside N is a baccharane glycoside isolated from lmpatiens buhamina[1].
CAS Number
156765-13-8
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/hosenkoside-n.html
Solubility
10 mM in DMSO
Smiles
C[C@]12[C@@](CC[C@@]3([H])[C@]2(CC[C@](CO)([C@@H]3O)CC/C=C(C)\CO)C)([H])[C@@]4([C@@]([C@@](C)([C@H](CC4)O[C@@H]5O[C@@H]([C@H]([C@@H]([C@H]5O)O)O)CO)CO[C@@H]6O[C@@H]([C@H]([C@@H]([C@H]6O)O)O)CO)([H])CC1)C
Molecular Formula
C42H72O15
Molecular Weight
817.01
References & Citations
[1]Shoji N, et al. Baccharane glycosides from seeds of Impatiens balsamina. Phytochemistry. 1994 Nov;37 (5) :1437-41.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Hosenkoside N

BHXUCTIENIBOPM-DWAMTBHSSA-N has been reported in Impatiens balsamina with data available.

CAS Number156765-13-8
PubChem CID162938316
IUPAC Name(2R,3R,4S,5S,6R)-2-[[(1R,2S,4aR,4bR,6aS,7R,8R,10aR,10bR,12aR)-7-hydroxy-8-(hydroxymethyl)-8-[(Z)-5-hydroxy-4-methylpent-3-enyl]-1,4a,10a,10b-tetramethyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-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 FormulaC42H72O15
Molecular Weight817.0
XLogP2.2
Topological Polar Surface Area259
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count15
Rotatable Bond Count12
Heavy Atom Count57
Formal Charge0
Complexity1400
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)C)C)CO)/CO
InChI
InChI=1S/C42H72O15/c1-22(17-43)7-6-12-42(20-46)16-15-40(4)23(35(42)53)8-9-27-38(2)13-11-28(57-37-34(52)32(50)30(48)25(19-45)56-37)39(3,26(38)10-14-41(27,40)5)21-54-36-33(51)31(49)29(47)24(18-44)55-36/h7,23-37,43-53H,6,8-21H2,1-5H3/b22-7-/t23-,24-,25-,26-,27-,28+,29-,30-,31+,32+,33-,34-,35-,36-,37+,38+,39+,40-,41-,42-/m1/s1
InChIKey
BHXUCTIENIBOPM-DWAMTBHSSA-N
Chemical Structure
2D Structure
2D structure of Hosenkoside N
CAS: 156765-13-8
CID: 162938316
Formula: C42H72O15
MW: 817.0
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight817.0
XLogP32.2
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count15
Rotatable Bond Count12
Exact Mass816.48712159
Monoisotopic Mass816.48712159
Topological Polar Surface Area259 Ų
Heavy Atom Count57
Formal Charge0
Complexity1400
Isotope Atom Count0
Defined Atom Stereocenter Count20
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes