Protodioscin
TL;DR: Protodioscin (CAS 161659-81-0) is a chemical compound with molecular formula C51H84O22 and molecular weight 1048.5454 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[4-hydroxy-2-(hydroxymethyl)-6-[[6-hydroxy-7,9,13-trimethyl-6-[3-methyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-16-yl]oxy]-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
Also Known As: Protodioscin, Trigonelloside C, Saponin C?, Protodioscin [M+H]+, Furostane base-2H + O-Hex, O-Hex-dHex-dHex
Technical Specifications
| Molecular Formula | C51H84O22 |
| Molecular Weight | 1048.5454 g/mol |
| XLogP | -1.3 |
| Topological Polar Surface Area (TPSA) | 346.0 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 14 |
| Exact Mass | 1048.5454 Da |
| Heavy Atoms | 73 |
| Complexity | 1900.0 |
| SMILES | CC1C2C(CC3C2(CCC4C3CC=C5C4(CCC(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)C)O)O)O)O)OC8C(C(C(C(O8)C)O)O)O)C)C)OC1(CCC(C)COC9C(C(C(C(O9)CO)O)O)O)O |
| InChIKey | LVTJOONKWUXEFR-UHFFFAOYSA-N |
Chemical Property Profile of Protodioscin
Property Insights of Protodioscin
The XLogP value of -1.3 indicates that Protodioscin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 346.0 Ų indicates high polarity, suggesting Protodioscin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Protodioscin has 13 hydrogen bond donor(s) and 22 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Protodioscin?
The CAS number of Protodioscin is 161659-81-0.
What is the molecular formula of Protodioscin?
The molecular formula of Protodioscin is C51H84O22.
What is the molecular weight of Protodioscin?
The molecular weight of Protodioscin is 1048.5454 g/mol.
Where can I buy Protodioscin?
You can request a quote for Protodioscin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Protodioscin?
Yes, CoreyChem provides custom synthesis services for Protodioscin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.