Ciwujianoside D1
TL;DR: Ciwujianoside D1 (CAS 13208-44-1) is a chemical compound with molecular formula C55H88O22 and molecular weight 1100.58 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)-6-(acetyloxymethyl)-3,4-dihydroxy-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)-2,2,6a,6b,9,9,12a-heptamethyl-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 D1, yemuoside YM14, 3-Chloropropyl-2-furfurylsulfide, 6-deoxy-, A-l-mannopyranosyl-(1-
| Molecular Formula | C55H88O22 |
|---|---|
| Molecular Weight | 1100.58 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 340.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 13 |
| Exact Mass | 1100.5768 |
| Heavy Atoms | 77 |
| Complexity | 2160.0 |
Chemical Identifiers
| CAS Number | 13208-44-1 |
|---|---|
| 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@@]45CC[C@@]6(C(=CC[C@H]7[C@]6(CC[C@@H]8[C@@]7(CC[C@@H](C8(C)C)O[C@H]9[C@@H]([C@H]([C@H](CO9)O)O)O)C)C)[C@@H]4CC(CC5)(C)C)C)O)O)O)COC(=O)C)O)O)O |
| InChIKey | SXLYHZXGNXAASM-VBSKCKADSA-N |
Product Overview
Ciwujianoside D1 (CAS 13208-44-1), with molecular formula C55H88O22 and molecular weight 1100.58 g/mol. IUPAC: [(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-6-(acetyloxymethyl)-3,4-dihydroxy-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)-2,2,6a,6b,9,9,12a-heptamethyl-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 D1
Property Insights of Ciwujianoside D1
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ciwujianoside D1. The TPSA of 340.0 Ų indicates high polarity, suggesting Ciwujianoside D1 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ciwujianoside D1 has 11 hydrogen bond donor(s) and 22 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ciwujianoside D1?
The CAS number of Ciwujianoside D1 is 13208-44-1.
What is the molecular formula of Ciwujianoside D1?
The molecular formula of Ciwujianoside D1 is C55H88O22.
What is the molecular weight of Ciwujianoside D1?
The molecular weight of Ciwujianoside D1 is 1100.58 g/mol.
Where can I buy Ciwujianoside D1?
You can request a quote for Ciwujianoside D1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ciwujianoside D1?
Yes, KEHONG BIO provides custom synthesis services for Ciwujianoside D1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.