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Cucumarioside G1

CAT: 0804-HY-129848Size: 1 EachDry Ice: NoHazardous: No
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Description
Cucumarioside G1 is a triterpene glycoside and can be isolated from Cucumaria fraudatrix[1].
CAS Number
81296-42-6
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/cucumarioside-g1.html
Smiles
CC12C3(CCC4C2=CCC5C4(CCC(OC6C(C(C(OS(=O)(O)=O)CO6)O)OC7C(C(C(OC8C(C(C(O)C(CO)O8)OC9C(C(C(O)CO9)OC)O)O)C(C)O7)O)O)C5(C)C)C)C(C(CC/C=C(C)/C)(C)OC3=O)C(OC(C)=O)C1.[NaH]
Molecular Formula
C55H87NaO25S
Molecular Weight
1203.32
References & Citations
[1]Mazeĭka AN, Popov AM, et al. Complexation between triterpene glycosides of holothurians and cholesterol is the basis of lipid-saponin carriers of subunit protein antigens. Biofizika 2008;53 (5) :826-835.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Cucumarioside G1
CAS Number81296-42-6
PubChem CID157789
IUPAC Namesodium [16-[3-[5-[4-(3,5-dihydroxy-4-methoxyoxan-2-yl)oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-5-sulfooxyoxan-2-yl]oxy-2,6,13,17,17-pentamethyl-6-(4-methylpent-3-enyl)-8-oxo-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icos-1(20)-en-4-yl] acetate
Molecular FormulaC55H86NaO25S+
Molecular Weight1202.3
Topological Polar Surface Area369
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count25
Rotatable Bond Count17
Heavy Atom Count82
Formal Charge1
Complexity2450
SMILES
CC1C(C(C(C(O1)OC2C(C(COC2OC3CCC4(C5CCC67C(C(CC6(C5=CCC4C3(C)C)C)OC(=O)C)C(OC7=O)(C)CCC=C(C)C)C)OS(=O)(=O)O)O)O)O)OC8C(C(C(C(O8)CO)O)OC9C(C(C(CO9)O)OC)O)O.[Na+]
InChI
InChI=1S/C55H86O25S.Na/c1-24(2)12-11-17-54(9)45-30(73-26(4)57)20-53(8)28-13-14-33-51(5,6)34(16-18-52(33,7)27(28)15-19-55(45,53)50(65)79-54)75-49-44(36(60)32(23-71-49)80-81(66,67)68)78-47-38(62)37(61)41(25(3)72-47)76-48-40(64)43(35(59)31(21-56)74-48)77-46-39(63)42(69-10)29(58)22-70-46;/h12-13,25,27,29-49,56,58-64H,11,14-23H2,1-10H3,(H,66,67,68);/q;+1
InChIKey
JWRBJSGKRKVUIB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cucumarioside G1
CAS: 81296-42-6
CID: 157789
Formula: C55H86NaO25S+
MW: 1202.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight1202.3
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count25
Rotatable Bond Count17
Exact Mass1201.50765868
Monoisotopic Mass1201.50765868
Topological Polar Surface Area369 Ų
Heavy Atom Count82
Formal Charge1
Complexity2450
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count27
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes