Ciwujianoside C1
TL;DR: Ciwujianoside C1 (CAS 13208-26-9) is a chemical compound with molecular formula C52H82O21 and molecular weight 1042.53 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-6a,6b,9,9,12a-pentamethyl-2-methylidene-10-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
Also Known As: Ciwujianoside C1, yemuoside YM14, 6-deoxy-, A-l-mannopyranosyl-(1-, HY-N12298
| Molecular Formula | C52H82O21 |
|---|---|
| Molecular Weight | 1042.53 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 334.0 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 11 |
| Exact Mass | 1042.5349 |
| Heavy Atoms | 73 |
| Complexity | 2040.0 |
Chemical Identifiers
| CAS Number | 13208-26-9 |
|---|---|
| SMILES | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)OC[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)OC(=O)[C@]45CCC(=C)C[C@H]4C6=CC[C@@H]7[C@]8(CC[C@@H](C([C@@H]8CC[C@]7([C@@]6(CC5)C)C)(C)C)O[C@H]9[C@@H]([C@H]([C@H](CO9)O)O)O)C)O)O)O)CO)O)O)O |
| InChIKey | HMQSPQLUUHPGBG-MCVRKTBJSA-N |
Product Overview
Ciwujianoside C1 (CAS 13208-26-9), with molecular formula C52H82O21 and molecular weight 1042.53 g/mol. IUPAC: [(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-6a,6b,9,9,12a-pentamethyl-2-methylidene-10-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate.
Chemical Property Profile of Ciwujianoside C1
Property Insights of Ciwujianoside C1
The XLogP value of -0.9 indicates that Ciwujianoside C1 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 334.0 Ų indicates high polarity, suggesting Ciwujianoside C1 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ciwujianoside C1 has 12 hydrogen bond donor(s) and 21 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ciwujianoside C1?
The CAS number of Ciwujianoside C1 is 13208-26-9.
What is the molecular formula of Ciwujianoside C1?
The molecular formula of Ciwujianoside C1 is C52H82O21.
What is the molecular weight of Ciwujianoside C1?
The molecular weight of Ciwujianoside C1 is 1042.53 g/mol.
Where can I buy Ciwujianoside C1?
You can request a quote for Ciwujianoside C1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ciwujianoside C1?
Yes, KEHONG BIO provides custom synthesis services for Ciwujianoside C1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.