Products for Research Use Only

Fructo-oligosaccharide DP14

CAT: 0013-GTR19217640-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19217640-01Size:5 mg
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Description
Fructo-oligosaccharide DP14 is a defined polysaccharide subclass isolated from Atractylodes lancea , characterized by a polymerization degree of 14. This research-grade oligosaccharide is utilized in studies of prebiotic activity, gut microbiota modulation, and immunomodulatory effects in both in vitro and in vivo experimental models.
CAS Number
137405-38-0
Smiles
C (O[C@]1 (CO[C@]2 (CO[C@]3 (CO[C@]4 (CO[C@]5 (CO[C@]6 (CO[C@]7 (CO[C@]8 (CO[C@]9 (CO[C@]%10 (CO[C@]%11 (CO[C@]%12 (CO) O[C@H] (CO) [C@@H] (O) [C@@H]%12O) O[C@H] (CO) [C@@H] (O) [C@@H]%11O) O[C@H] (CO) [C@@H] (O) [C@@H]%10O) O[C@H] (CO) [C@@H] (O) [C@@H]9O) O[C@H] (CO) [C@@H] (O) [C@@H]8O) O[C@H] (CO) [C@@H] (O) [C@@H]7O) O[C@H] (CO) [C@@H] (O) [C@@H]6O) O[C@H] (CO) [C@@H] (O) [C@@H]5O) O[C@H] (CO) [C@@H] (O) [C@@H]4O) O[C@H] (CO) [C@@H] (O) [C@@H]3O) O[C@H] (CO) [C@@H] (O) [C@@H]2O) O[C@H] (CO) [C@@H] (O) [C@@H]1O) [C@@]%13 (O[C@H]%14O[C@H] (CO) [C@@H] (O) [C@H] (O) [C@H]%14O) O[C@H] (CO) [C@@H] (O) [C@@H]%13O
Molecular Formula
C84H142O71
Molecular Weight
2287.98
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Fructo-oligosaccharide DP14/GF13
CAS Number137405-38-0
PubChem CID168265996
IUPAC Name(3R,4S,5S,6R)-2-[(1S,2S,3R,4R)-1-[[(1S,2S,3R,4R)-1-[[(1S,2S,3R,4R)-1-[[(1S,2S,3R,4R)-1-[[(1S,2S,3R,4R)-1-[[(1S,2S,3R,4R)-1-[[(1S,2S,3R,4R)-1-[[(1S,2S,3R,4R)-1-[[(1S,2S,3R,4R)-1-[[(1S,2S,3R,4R)-1-[[(1S,2S,3R,4R)-1-[[(1S,2S,3R,4R)-1-[[(1S,2S,3R,4R)-1-[[(1S,2S,3R,4R)-2,3-dihydroxy-1,4-bis(hydroxymethyl)cyclopentyl]oxymethyl]-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]oxymethyl]-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]oxymethyl]-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]oxymethyl]-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]oxymethyl]-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]oxymethyl]-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]oxymethyl]-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]oxymethyl]-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]oxymethyl]-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]oxymethyl]-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]oxymethyl]-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]oxymethyl]-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]oxymethyl]-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular FormulaC104H180O62
Molecular Weight2422.5
XLogP-19.4
Topological Polar Surface Area1090
Hydrogen Bond Donor Count47
Hydrogen Bond Acceptor Count62
Rotatable Bond Count57
Heavy Atom Count166
Formal Charge0
Complexity4770
SMILES
C1[C@@H]([C@H]([C@@H]([C@]1(CO)OC[C@]2(C[C@@H]([C@H]([C@@H]2O)O)CO)OC[C@]3(C[C@@H]([C@H]([C@@H]3O)O)CO)OC[C@]4(C[C@@H]([C@H]([C@@H]4O)O)CO)OC[C@]5(C[C@@H]([C@H]([C@@H]5O)O)CO)OC[C@]6(C[C@@H]([C@H]([C@@H]6O)O)CO)OC[C@]7(C[C@@H]([C@H]([C@@H]7O)O)CO)OC[C@]8(C[C@@H]([C@H]([C@@H]8O)O)CO)OC[C@]9(C[C@@H]([C@H]([C@@H]9O)O)CO)OC[C@]1(C[C@@H]([C@H]([C@@H]1O)O)CO)OC[C@]1(C[C@@H]([C@H]([C@@H]1O)O)CO)OC[C@]1(C[C@@H]([C@H]([C@@H]1O)O)CO)OC[C@]1(C[C@@H]([C@H]([C@@H]1O)O)CO)OC[C@]1(C[C@@H]([C@H]([C@@H]1O)O)CO)OC1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)CO
InChI
InChI=1S/C104H180O62/c105-15-44-1-91(30-120,76(138)59(44)121)152-31-92(2-45(16-106)60(122)77(92)139)153-32-93(3-46(17-107)61(123)78(93)140)154-33-94(4-47(18-108)62(124)79(94)141)155-34-95(5-48(19-109)63(125)80(95)142)156-35-96(6-49(20-110)64(126)81(96)143)157-36-97(7-50(21-111)65(127)82(97)144)158-37-98(8-51(22-112)66(128)83(98)145)159-38-99(9-52(23-113)67(129)84(99)146)160-39-100(10-53(24-114)68(130)85(100)147)161-40-101(11-54(25-115)69(131)86(101)148)162-41-102(12-55(26-116)70(132)87(102)149)163-42-103(13-56(27-117)71(133)88(103)150)164-43-104(14-57(28-118)72(134)89(104)151)166-90-75(137)74(136)73(135)58(29-119)165-90/h44-90,105-151H,1-43H2/t44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74+,75-,76+,77+,78+,79+,80+,81+,82+,83+,84+,85+,86+,87+,88+,89+,90?,91+,92+,93+,94+,95+,96+,97+,98+,99+,100+,101+,102+,103+,104+/m1/s1
InChIKey
VRVFELCUXPVWON-KPTRRDSGSA-N
Chemical Structure
2D Structure
2D structure of Fructo-oligosaccharide DP14/GF13
CAS: 137405-38-0
CID: 168265996
Formula: C104H180O62
MW: 2422.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight2422.5
XLogP3-19.4
Hydrogen Bond Donor Count47
Hydrogen Bond Acceptor Count62
Rotatable Bond Count57
Exact Mass2422.0965670
Monoisotopic Mass2421.0932121
Topological Polar Surface Area1090 Ų
Heavy Atom Count166
Formal Charge0
Complexity4770
Isotope Atom Count0
Defined Atom Stereocenter Count60
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes