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Hosenkoside L

CAT: 0804-HY-N12052-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N12052-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Hosenkoside L is a baccharane-type glycoside[1].
CAS Number
161016-50-8
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/hosenkoside-l.html
Solubility
10 mM in DMSO
Smiles
C[C@]12[C@@](CC[C@@]3([H])[C@]2(CC[C@@]4(CC[C@@](OC4)([H])[C@@H](C)CO)[C@@H]3O)C)([H])[C@@]5([C@@]([C@@](C)([C@H](CC5)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)CO[C@@H]8O[C@@H]([C@H]([C@@H]([C@H]8O)O)O)CO)([H])CC1)C
Molecular Formula
C47H80O19
Molecular Weight
949.13
References & Citations
[1]Siyu Zhang, et al. Seven new 2- (2-phenylethyl) chromone derivatives from agarwood of Aquilaria agallocha with inhibitory effects on nitric oxide production.Fitoterapia. 2022 Jun:159:105177.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Hosenkoside L

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

CAS Number161016-50-8
PubChem CID10396107
IUPAC Name(2R,3R,4S,5S,6R)-2-[[(1R,2S,2'S,4aR,4bR,6aS,7R,8S,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-2'-[(2S)-1-hydroxypropan-2-yl]-1,4a,10a,10b-tetramethylspiro[3,4,4b,5,6,6a,7,9,10,11,12,12a-dodecahydro-2H-chrysene-8,5'-oxane]-1-yl]methoxy]-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]1CC[C@@]2(CC[C@@]3([C@@H]([C@H]2O)CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H]([C@@]5(C)CO[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)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)CO1
InChI
InChI=1S/C47H80O19/c1-22(16-48)25-8-13-47(21-61-25)15-14-45(4)23(39(47)59)6-7-29-43(2)11-10-30(65-42-38(35(56)33(54)27(18-50)64-42)66-40-36(57)31(52)24(51)19-60-40)44(3,28(43)9-12-46(29,45)5)20-62-41-37(58)34(55)32(53)26(17-49)63-41/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+/m0/s1
InChIKey
QOADBOAPJREKSC-QLZSSGTNSA-N
Chemical Structure
2D Structure
2D structure of Hosenkoside L
CAS: 161016-50-8
CID: 10396107
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