Structure & Deep Data of Silydianin (C25H22O10)
Identification of Silydianin Chemical Compound
| Chemical Formula | C25H22O10 |
|---|---|
| Molecular Weight | 482.43618 g/mol |
| IUPAC Name | (1R,3R,6R,7R,10S)-3-hydroxy-10-(4-hydroxy-3-methoxyphenyl)-8-[(2R,3R)-3,5,7-trihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl]-4-oxatricyclo[4.3.1.0^{3,7}]dec-8-en-2-one |
| SMILES String | COc1cc(ccc1O)C3C2COC4(O)C2C(=CC3C4=O)C6Oc5cc(O)cc(O)c5C(=O)C6O |
| InChI | InChI=1S/C25H22O10/c1-33-16-4-9(2-3-14(16)27)18-11-7-12(20-13(18)8-34-25(20,32)24(11)31)23-22(30)21(29)19-15(28)5-10(26)6-17(19)35-23/h2-7,11,13,18,20,22-23,26-28,30,32H,8H2,1H3/t11-,13-,18-,20+,22+,23-,25-/m1/s1 |
| InChIKey | CYGIJEJDYJOUAN-BHOVNBGZSA-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 Silydianin molecule contains a total of 62 bond(s). There are 40 non-H bond(s), 15 multiple bond(s), 3 rotatable bond(s), 3 double bond(s), 12 aromatic bond(s), 1 five-membered ring(s), 6 six-membered ring(s), 1 seven-membered ring(s), 2 nine-membered ring(s), 1 ten-membered ring(s), 1 ketone(s) (aliphatic), 1 ketone(s) (aromatic), 2 hydroxyl group(s), 3 aromatic hydroxyl(s), 1 secondary alcohol(s), 1 ether(s) (aliphatic), 2 ether(s) (aromatic), and 1 Oxolane(s). Images of the chemical structure of Silydianin are given below:
The 2D chemical structure image of Silydianin is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of Silydianin 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 Silydianin 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 Silydianin. 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 Silydianin is provided here.
The Silydianin 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 Silydianin 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 Silydianin 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 Silydianin Molecule
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SMILES (Simplified Molecular-Input Line-Entry System) string of Silydianin
The SMILES string of Silydianin is COc1cc(ccc1O)C3C2COC4(O)C2C(=CC3C4=O)C6Oc5cc(O)cc(O)c5C(=O)C6O, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the Silydianin.
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Structure Data File (SDF/MOL File) of Silydianin
The structure data file (SDF/MOL File) of Silydianin is available for download in the SDF page of Silydianin, which provides the information about the atoms, bonds, connectivity and coordinates of Silydianin. The Silydianin structure data file can be imported to most of the cheminformatics software systems and applications.
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Chemical formula of Silydianin
The molecular formula of Silydianin is available in chemical formula page of Silydianin, 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 Silydianin
The molecular weight of Silydianin is available in molecular weight page of Silydianin, 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 Silydianin
The Silydianin compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of Silydianin including the various registry numbers, if available:
- 29782-68-1
- Silydianin
Silydianin Identification Summary Frequently Asked Questions (FAQs)
| What’s the chemical formula of Silydianin? |
|---|
| C25H22O10 |
| How many atoms and what are the elements included the Silydianin molecule? |
| 57 atom(s) - 22 Hydrogen atom(s), 25 Carbon atom(s), and 10 Oxygen atom(s) |
| How many chemical bonds and what kind of bonds are included the Silydianin structure? |
| 62 bond(s) - 40 non-H bond(s), 15 multiple bond(s), 3 rotatable bond(s), 3 double bond(s), 12 aromatic bond(s), 1 five-membered ring(s), 6 six-membered ring(s), 1 seven-membered ring(s), 2 nine-membered ring(s), 1 ten-membered ring(s), 1 ketone(s) (aliphatic), 1 ketone(s) (aromatic), 2 hydroxyl group(s), 3 aromatic hydroxyl(s), 1 secondary alcohol(s), 1 ether(s) (aliphatic), 2 ether(s) (aromatic), and 1 Oxolane(s) |
| What’s the Silydianin’s molecular weight? |
| 482.43618 g/mol |
| What’s the SMILES code of Silydianin? |
| COc1cc(ccc1O)C3C2COC4(O)C2C(=CC3C4=O)C6Oc5cc(O)cc(O)c5C(=O)C6O |
| What’s the InChI string of Silydianin? |
| InChI=1S/C25H22O10/c1-33-16-4-9(2-3-14(16)27)18-11-7-12(20-13(18)8-34-25(20,32)24(11)31)23-22(30)21(29)19-15(28)5-10(26)6-17(19)35-23/h2-7,11,13,18,20,22-23,26-28,30,32H,8H2,1H3/t11-,13-,18-,20+,22+,23-,25-/m1/s1 |
| What’s the InChIKey code of Silydianin? |
| CYGIJEJDYJOUAN-BHOVNBGZSA-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).