Tangshenoside I
TL;DR: Tangshenoside I (CAS 117278-74-7) is a chemical compound with molecular formula C29H42O18 and molecular weight 678.2371 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[3-[3,5-dimethoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoxy]-3-methyl-5-oxo-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoic acid
Also Known As: Tangshenoside I
Technical Specifications
| Molecular Formula | C29H42O18 |
| Molecular Weight | 678.2371 g/mol |
| XLogP | -2.6 |
| Topological Polar Surface Area (TPSA) | 281.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 16 |
| Exact Mass | 678.2371 Da |
| Heavy Atoms | 47 |
| Complexity | 1020.0 |
| SMILES | CC(CC(=O)O)(CC(=O)OCC=CC1=CC(=C(C(=C1)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O |
| InChIKey | ABKPQICIFGNRAA-ULUNJKNQSA-N |
Chemical Property Profile of Tangshenoside I
Property Insights of Tangshenoside I
The XLogP value of -2.6 indicates that Tangshenoside I is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 281.0 Ų indicates high polarity, suggesting Tangshenoside I may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Tangshenoside I has 9 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Tangshenoside I?
The CAS number of Tangshenoside I is 117278-74-7.
What is the molecular formula of Tangshenoside I?
The molecular formula of Tangshenoside I is C29H42O18.
What is the molecular weight of Tangshenoside I?
The molecular weight of Tangshenoside I is 678.2371 g/mol.
Where can I buy Tangshenoside I?
You can request a quote for Tangshenoside I directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Tangshenoside I?
Yes, CoreyChem provides custom synthesis services for Tangshenoside I and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.