Structure & Deep Data of Benzyl acuminose (C18H26O10)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The benzyl acuminose molecule contains a total of 56 bond(s). There are 30 non-H bond(s), 6 multiple bond(s), 7 rotatable bond(s), 6 aromatic bond(s), 1 five-membered ring(s), 2 six-membered ring(s), 6 hydroxyl group(s), 1 primary alcohol(s), 4 secondary alcohol(s), 1 tertiary alcohol(s), 4 ether(s) (aliphatic), and 1 Oxolane(s). Images of the chemical structure of benzyl acuminose are given below:

The 2D chemical structure image of benzyl acuminose is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of benzyl acuminose 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 benzyl acuminose 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 benzyl acuminose. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying Benzyl acuminose Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of benzyl acuminose

  The SMILES string of benzyl acuminose is OCC3(O)COC(OCC2OC(OCc1ccccc1)C(O)C(O)C2O)C3O, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the benzyl acuminose.

• Structure Data File (SDF/MOL File) of benzyl acuminose

  The structure data file (SDF/MOL File) of benzyl acuminose is available for download in the SDF page of benzyl acuminose, which provides the information about the atoms, bonds, connectivity and coordinates of benzyl acuminose. The benzyl acuminose structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of benzyl acuminose

  The molecular formula of benzyl acuminose is available in chemical formula page of benzyl acuminose, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of benzyl acuminose

  The molecular weight of benzyl acuminose is available in molecular weight page of benzyl acuminose, 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.

• Other names (synonyms) or registry numbers of benzyl acuminose

  The benzyl acuminose compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of benzyl acuminose including the various registry numbers, if available:

  • 115009-57-9
  • benzyl 6-O-beta-D-apiofuranosyl-beta-D-glucopyranoside
  • Icariside F2, >=90% (LC/MS-ELSD)
  • Icariside F2
  • benzyl acuminose

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Benzyl acuminose Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of benzyl acuminose?
C18H26O10
How many atoms and what are the elements included the benzyl acuminose molecule?
54 atom(s) - 26 Hydrogen atom(s), 18 Carbon atom(s), and 10 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the benzyl acuminose structure?
56 bond(s) - 30 non-H bond(s), 6 multiple bond(s), 7 rotatable bond(s), 6 aromatic bond(s), 1 five-membered ring(s), 2 six-membered ring(s), 6 hydroxyl group(s), 1 primary alcohol(s), 4 secondary alcohol(s), 1 tertiary alcohol(s), 4 ether(s) (aliphatic), and 1 Oxolane(s)
What’s the benzyl acuminose’s molecular weight?
402.39304 g/mol
What’s the SMILES code of benzyl acuminose?
OCC3(O)COC(OCC2OC(OCc1ccccc1)C(O)C(O)C2O)C3O
What’s the InChI string of benzyl acuminose?
InChI=1S/C18H26O10/c19-8-18(24)9-27-17(15(18)23)26-7-11-12(20)13(21)14(22)16(28-11)25-6-10-4-2-1-3-5-10/h1-5,11-17,19-24H,6-9H2/t11-,12-,13+,14-,15+,16-,17-,18-/m1/s1
What’s the InChIKey code of benzyl acuminose?
NJMQSVWMCODQIP-FQXXIRCGSA-N

277 The contents of this page can freely be shared if cited as follows:
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).