Structure & Deep Data of Glucosilsteviol (C26H40O8)
Identification of Glucosilsteviol Chemical Compound
Chemical Formula | C26H40O8 |
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Molecular Weight | 480.591 g/mol |
IUPAC Name | 5,9-dimethyl-14-methylidene-13-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tetracyclo[11.2.1.0^{1,10}.0^{4,9}]hexadecane-5-carboxylic acid |
SMILES String | CC12CCCC(C)(C1CCC34CC(=C)C(CCC23)(C4)OC5OC(CO)C(O)C(O)C5O)C(O)=O |
InChI | InChI=1S/C26H40O8/c1-14-11-25-9-5-16-23(2,7-4-8-24(16,3)22(31)32)17(25)6-10-26(14,13-25)34-21-20(30)19(29)18(28)15(12-27)33-21/h15-21,27-30H,1,4-13H2,2-3H3,(H,31,32) |
InChIKey | QSIDJGUAAUSPMG-UHFFFAOYSA-N |
Chemical Structure Description
A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The Glucosilsteviol molecule contains a total of 78 bond(s). There are 38 non-H bond(s), 2 multiple bond(s), 4 rotatable bond(s), 2 double bond(s), 1 five-membered ring(s), 4 six-membered ring(s), 1 seven-membered ring(s), 2 ten-membered ring(s), 1 eleven-membered ring(s), 1 carboxylic acid(s) (aliphatic), 5 hydroxyl group(s), 1 primary alcohol(s), 3 secondary alcohol(s), and 2 ether(s) (aliphatic). Images of the chemical structure of Glucosilsteviol are given below:
The 2D chemical structure image of Glucosilsteviol is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of Glucosilsteviol are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.
The 3D chemical structure image of Glucosilsteviol is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of Glucosilsteviol. Download structure data file (SDF/MOL) file of this compound.
Interactive 3D Visualization
For a better understanding of the chemical structure, an interactive 3D visualization of Glucosilsteviol is provided here.
The Glucosilsteviol molecule shown in the visualization screen can be rotated interactively by keep clicking and moving the mouse button. Mouse wheel zoom is available as well – the size of the Glucosilsteviol molecule can be increased or decreased by scrolling the mouse wheel.
The information of the atoms, bonds, connectivity and coordinates included in the chemical structure of Glucosilsteviol can easily be identified by this visualization. By right-clicking the visualization screen, various other options are available including the visualization of van der Waals surface and exporting to an image file.
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Additional Information for Identifying Glucosilsteviol Molecule
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SMILES (Simplified Molecular-Input Line-Entry System) string of Glucosilsteviol
The SMILES string of Glucosilsteviol is CC12CCCC(C)(C1CCC34CC(=C)C(CCC23)(C4)OC5OC(CO)C(O)C(O)C5O)C(O)=O, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the Glucosilsteviol.
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Structure Data File (SDF/MOL File) of Glucosilsteviol
The structure data file (SDF/MOL File) of Glucosilsteviol is available for download in the SDF page of Glucosilsteviol, which provides the information about the atoms, bonds, connectivity and coordinates of Glucosilsteviol. The Glucosilsteviol structure data file can be imported to most of the cheminformatics software systems and applications.
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Chemical formula of Glucosilsteviol
The molecular formula of Glucosilsteviol is available in chemical formula page of Glucosilsteviol, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
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Molecular weight of Glucosilsteviol
The molecular weight of Glucosilsteviol is available in molecular weight page of Glucosilsteviol, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element in the molecular formula.
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Other names (synonyms) or registry numbers of Glucosilsteviol
The Glucosilsteviol compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of Glucosilsteviol including the various registry numbers, if available:
- 5,9-DIMETHYL-14-METHYLIDENE-13-{[3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}TETRACYCLO[11.2.1.0(1),(1)?.0?,?]HEXADECANE-5-CARBOXYLIC ACID
- Glucopyranoside, 13-hydroxykaur-16-en-19-oate, beta-D-
- 19-O-beta-D-Glucopyranosyl steviol
- Steviolmonoside
- 13-(hexopyranosyloxy)kaur-16-en-18-oic acid
- Glucosilsteviol
- Kaur-16-en-18-oic acid, 13-(beta-D-glucopyranosyloxy)-, (4alpha)-
- AR-1C0709
Glucosilsteviol Identification Summary Frequently Asked Questions (FAQs)
What’s the chemical formula of Glucosilsteviol? |
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C26H40O8 |
How many atoms and what are the elements included the Glucosilsteviol molecule? |
74 atom(s) - 40 Hydrogen atom(s), 26 Carbon atom(s), and 8 Oxygen atom(s) |
How many chemical bonds and what kind of bonds are included the Glucosilsteviol structure? |
78 bond(s) - 38 non-H bond(s), 2 multiple bond(s), 4 rotatable bond(s), 2 double bond(s), 1 five-membered ring(s), 4 six-membered ring(s), 1 seven-membered ring(s), 2 ten-membered ring(s), 1 eleven-membered ring(s), 1 carboxylic acid(s) (aliphatic), 5 hydroxyl group(s), 1 primary alcohol(s), 3 secondary alcohol(s), and 2 ether(s) (aliphatic) |
What’s the Glucosilsteviol’s molecular weight? |
480.591 g/mol |
What’s the SMILES code of Glucosilsteviol? |
CC12CCCC(C)(C1CCC34CC(=C)C(CCC23)(C4)OC5OC(CO)C(O)C(O)C5O)C(O)=O |
What’s the InChI string of Glucosilsteviol? |
InChI=1S/C26H40O8/c1-14-11-25-9-5-16-23(2,7-4-8-24(16,3)22(31)32)17(25)6-10-26(14,13-25)34-21-20(30)19(29)18(28)15(12-27)33-21/h15-21,27-30H,1,4-13H2,2-3H3,(H,31,32) |
What’s the InChIKey code of Glucosilsteviol? |
QSIDJGUAAUSPMG-UHFFFAOYSA-N |
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Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN
technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).