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Loniceroside A

CAT: 0931-TN8575-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TN8575-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
155740-20-8
Bioactivity
Loniceroside A is a natural product that can be used in related research in the field of life sciences. Its product number is TN8575.
Smiles
C(O[C@H]1[C@H](O[C@H]2[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O2)[C@@H](O)[C@H](O)[C@@H](CO[C@H]3[C@H](O)[C@@H](O)[C@H](O)CO3)O1)(=O)[C@]45[C@](C=6[C@@](C)(CC4)[C@@]7(C)[C@](CC6)([C@]8(C)[C@@](CC7)([C@@](CO)(C)[C@@H](O[C@H]9[C@H](O)[C@@H](O)[C@@H](O)CO9)CC8)[H])[H])(CC(C)(C)CC5)[H]
Molecular Formula
C52H84O21
Molecular Weight
1045.21
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Loniceroside A

isolated from Lonicerae japonicae

CAS Number155740-20-8
PubChem CID10102583
IUPAC Name[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
Molecular FormulaC52H84O21
Molecular Weight1045.2
XLogP-0.2
Topological Polar Surface Area334
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count21
Rotatable Bond Count11
Heavy Atom Count73
Formal Charge0
Complexity2010
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC(=O)[C@@]34CC[C@@]5(C(=CC[C@H]6[C@]5(CC[C@@H]7[C@@]6(CC[C@@H]([C@@]7(C)CO)O[C@H]8[C@@H]([C@H]([C@H](CO8)O)O)O)C)C)[C@@H]3CC(CC4)(C)C)C)CO[C@H]9[C@@H]([C@H]([C@@H](CO9)O)O)O)O)O)O)O)O
InChI
InChI=1S/C52H84O21/c1-23-32(56)36(60)40(64)44(69-23)72-41-37(61)35(59)28(21-68-42-38(62)33(57)26(54)19-66-42)70-45(41)73-46(65)52-16-14-47(2,3)18-25(52)24-8-9-30-48(4)12-11-31(71-43-39(63)34(58)27(55)20-67-43)49(5,22-53)29(48)10-13-51(30,7)50(24,6)15-17-52/h8,23,25-45,53-64H,9-22H2,1-7H3/t23-,25-,26+,27-,28+,29+,30+,31-,32-,33-,34-,35+,36+,37-,38+,39+,40+,41+,42-,43-,44-,45-,48-,49-,50+,51+,52-/m0/s1
InChIKey
AWVAONKHWVCQKJ-PVOVGVROSA-N
Chemical Structure
2D Structure
2D structure of Loniceroside A
CAS: 155740-20-8
CID: 10102583
Formula: C52H84O21
MW: 1045.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1045.2
XLogP3-0.2
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count21
Rotatable Bond Count11
Exact Mass1044.55050968
Monoisotopic Mass1044.55050968
Topological Polar Surface Area334 Ų
Heavy Atom Count73
Formal Charge0
Complexity2010
Isotope Atom Count0
Defined Atom Stereocenter Count27
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19243022-01Loniceroside A

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