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Platycoside E

CAT: 0804-HY-N3522-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N3522-02Size:10 mg
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Description
Platycoside E is a platycodigenin-type saponin isolated from the root of Platycodon grandiflorum with haemolytic activity and adjuvant potential. Platycoside E promotes the production of the sera OVA-specific IgG2a and IgG2b antibody in the ovalbumin (OVA) -immunized mice[1].
CAS Number
237068-41-6
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/platycoside-e.html
Purity
99.40
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O[C@H]([C@@H]([C@@H](O[C@@]1([H])[C@@H]([C@H]([C@H](O)CO1)O[C@@]2([H])[C@@H]([C@](CO)(O)CO2)O)O)[C@H](C)O3)O)[C@]3([H])O[C@H]([C@H]([C@@H](O)CO4)O)[C@@H]4OC([C@]56[C@](CC(C)(C)CC6)([H])C7=CC[C@@]([C@@]8([C@@](C(CO)([C@@H](O[C@]9([H])O[C@@H]([C@@H](O)[C@H](O)[C@H]9O)CO[C@@H]%10O[C@@H]([C@@H](O)[C@H](O)[C@H]%10O)CO[C@@H]%11O[C@@H]([C@@H](O)[C@H](O)[C@H]%11O)CO)[C@@H](O)C8)CO)([H])CC%12)C)([H])[C@]%12(C)[C@]7(C)C[C@H]5O)=O
Molecular Formula
C69H112O38
Molecular Weight
1549.60
References & Citations
[1]Xie Y, et al. Contribution of the glycidic moieties to the haemolytic and adjuvant activity of platycodigenin-type saponins from the root of Platycodon grandiflorum.Vaccine. 2008 Jun 25;26 (27-28) :3452-60.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, protect from light)
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Platycoside E

Platycoside E is a triterpenoid saponin. It has a role as a metabolite.

CAS Number237068-41-6
PubChem CID70698202
IUPAC Name[(2S,3R,4S,5S)-3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4S,5R)-4-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl] (4aR,5R,6aR,6aS,6bR,8aR,10R,11S,12aR,14bS)-5,11-dihydroxy-9,9-bis(hydroxymethyl)-2,2,6a,6b,12a-pentamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
Molecular FormulaC69H112O38
Molecular Weight1549.6
XLogP-8
Topological Polar Surface Area612
Hydrogen Bond Donor Count23
Hydrogen Bond Acceptor Count38
Rotatable Bond Count21
Heavy Atom Count107
Formal Charge0
Complexity3050
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@H](CO[C@H]2OC(=O)[C@]34CCC(C[C@H]3C5=CC[C@H]6[C@]([C@@]5(C[C@H]4O)C)(CC[C@@H]7[C@@]6(C[C@@H]([C@@H](C7(CO)CO)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O)O)O)O)O)C)C)(C)C)O)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O[C@H]1[C@@H]([C@](CO1)(CO)O)O)O
InChI
InChI=1S/C69H112O38/c1-25-50(103-57-49(90)51(30(76)18-94-57)104-61-53(91)68(93,23-73)24-98-61)44(85)48(89)58(99-25)105-52-37(78)29(75)17-95-60(52)107-62(92)69-12-11-63(2,3)13-27(69)26-7-8-34-64(4)14-28(74)54(67(21-71,22-72)35(64)9-10-65(34,5)66(26,6)15-36(69)77)106-59-47(88)43(84)40(81)33(102-59)20-97-56-46(87)42(83)39(80)32(101-56)19-96-55-45(86)41(82)38(79)31(16-70)100-55/h7,25,27-61,70-91,93H,8-24H2,1-6H3/t25-,27-,28-,29-,30+,31+,32+,33+,34+,35+,36+,37-,38+,39+,40+,41-,42-,43-,44-,45+,46+,47+,48+,49+,50-,51-,52+,53-,54-,55+,56+,57-,58-,59-,60-,61-,64+,65+,66+,68+,69+/m0/s1
InChIKey
TZSYJZBVJYXHEK-SNQGWRGYSA-N
Chemical Structure
2D Structure
2D structure of Platycoside E
CAS: 237068-41-6
CID: 70698202
Formula: C69H112O38
MW: 1549.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1549.6
XLogP3-8
Hydrogen Bond Donor Count23
Hydrogen Bond Acceptor Count38
Rotatable Bond Count21
Exact Mass1548.6831591
Monoisotopic Mass1548.6831591
Topological Polar Surface Area612 Ų
Heavy Atom Count107
Formal Charge0
Complexity3050
Isotope Atom Count0
Defined Atom Stereocenter Count41
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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