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Cyaonoside B

CAT: 0013-GTR19164835-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19164835-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Cyaonoside B is a saponin compound isolated from S. simplex, characterized by a glucuronic acid moiety attached at the C-3 position. It is utilized in biochemical research for studying natural product chemistry and for in vitro investigations of saponin bioactivity.
CAS Number
51161-58-1
Product Name Alternative
Cyaonoside B, inhibit, Inhibitor, β D glucopyranosyl [α L rhamnopyranosyl (1→3) βD glucuronopyranosyl (1→3) ] 3β hydroxyolean 12 ene28 oate, βDglucopyranosyl[αLrhamnopyranosyl (1→3) βDglucuronopyranosyl (1→3) ]3βhydroxyolean12ene28oate, β-D-glucopyranosyl-[α-L-rhamnopyranosyl- (1→3) -βD-glucuronopyranosyl- (1→3) ]-3β-hydroxyolean-12-ene-28-oate
Field of Research
Metabolism Research
Purity
99.36% (May vary between batches)
Solubility
DMSO:75 mg/mL (79.69 mM)
Smiles
[H][C@@]12CC (C) (C) CC[C@@]1 (CC[C@]1 (C) C2=CC[C@]2 ([H]) [C@@]3 (C) CC[C@H] (O[C@@H]4O[C@@H] ([C@@H] (O) [C@H] (O[C@@H]5O[C@@H] (C) [C@H] (O) [C@@H] (O) [C@H]5O) [C@H]4O) C (O) =O) C (C) (C) [C@]3 ([H]) CC[C@@]12C) C (=O) O[C@@H]1O[C@H] (CO) [C@@H] (O) [C@H] (O) [C@H]1O
Molecular Formula
C48H76O18
Molecular Weight
941.11
Storage Conditions
Keep away from direct sunlight, store under nitrogen | Powder: -20°C for 3 years | In solvent: -80°C for 1 year | Shipping with blue ice/Shipping at ambient temperature.
Notes
For research use only.

Chemical Information

Cyaonoside B

Cyaonoside B has been reported in Dumasia truncata, Swartzia simplex, and Bobgunnia madagascariensis with data available.

CAS Number51161-58-1
PubChem CID21635581
IUPAC Name(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-4,4,6a,6b,11,11,14b-heptamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,5-dihydroxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxane-2-carboxylic acid
Molecular FormulaC48H76O18
Molecular Weight941.1
XLogP3.2
Topological Polar Surface Area292
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count18
Rotatable Bond Count9
Heavy Atom Count66
Formal Charge0
Complexity1860
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2[C@@H]([C@H](O[C@H]([C@@H]2O)O[C@H]3CC[C@]4([C@H](C3(C)C)CC[C@@]5([C@@H]4CC=C6[C@]5(CC[C@@]7([C@H]6CC(CC7)(C)C)C(=O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)C)C)C)C(=O)O)O)O)O)O
InChI
InChI=1S/C48H76O18/c1-21-28(50)30(52)32(54)39(61-21)64-36-34(56)37(38(58)59)65-41(35(36)57)63-27-12-13-45(6)25(44(27,4)5)11-14-47(8)26(45)10-9-22-23-19-43(2,3)15-17-48(23,18-16-46(22,47)7)42(60)66-40-33(55)31(53)29(51)24(20-49)62-40/h9,21,23-37,39-41,49-57H,10-20H2,1-8H3,(H,58,59)/t21-,23-,24+,25-,26+,27-,28-,29+,30+,31-,32+,33+,34-,35+,36-,37-,39-,40-,41+,45-,46+,47+,48-/m0/s1
InChIKey
LBHYRBPEXITYTN-WYPLEBMUSA-N
Chemical Structure
2D Structure
2D structure of Cyaonoside B
CAS: 51161-58-1
CID: 21635581
Formula: C48H76O18
MW: 941.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight941.1
XLogP33.2
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count18
Rotatable Bond Count9
Exact Mass940.50316557
Monoisotopic Mass940.50316557
Topological Polar Surface Area292 Ų
Heavy Atom Count66
Formal Charge0
Complexity1860
Isotope Atom Count0
Defined Atom Stereocenter Count23
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
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