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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...
View on PubChemRaw 3D data
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

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