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Platycoside E

CAT: 0013-GTR19216915-03Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19216915-03Size:500 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. (In Vivo) :Platycoside E significantly promoted the production of the sera OVA-specific IgG2a and IgG2b antibody in the OVA-immunized mice.
CAS Number
237068-41-6
Product Name Alternative
Platycodin E
Purity
>98% (HPLC)
Solubility
In Vitro: DMSO : 100 mg/mL (64.53 mM)
Smiles
[H][C@@]1 (O[C@H]2[C@H] (O) CO[C@@] ([H]) (O[C@H]3[C@H] (C) O[C@@] ([H]) (O[C@@H]4[C@@H] (O) [C@@H] (O) CO[C@H]4OC (=O) [C@]45CCC (C) (C) C[C@@]4 ([H]) C4=CC[C@]6 ([H]) [C@@]7 (C) C[C@H] (O) [C@H] (O[C@]8 ([H]) O[C@H] (CO[C@@H]9O[C@H] (CO[C@@H]%10O[C@H] (CO) [C@@H] (O) [C@H] (O) [C@H]%10O) [C@@H] (O) [C@H] (O) [C@H]9O) [C@@H] (O) [C@H] (O) [C@H]8O) C (CO) (CO) [C@]7 ([H]) CC[C@@]6 (C) [C@]4 (C) C[C@H]5O) [C@H] (O) [C@@H]3O) [C@@H]2O) OC[C@] (O) (CO) [C@H]1O
Molecular Formula
C69H112O38
Molecular Weight
1549.617
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

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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