yiyeliangwanoside III
TL;DR: yiyeliangwanoside III (CAS 141039-75-0) is a chemical compound with molecular formula C57H88O25 and molecular weight 1172.56 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4aR,6aR,6aS,6bR,10S,12aR,14bR)-10-[(2S,3R,4S,5S)-3,5-diacetyloxy-4-hydroxyoxan-2-yl]oxy-4a-[(2R,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxycarbonyl-2,6a,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2-carboxylic acid
Also Known As: Yiyeliangwanoside III, 3-O-alpha(2',4'-O-Diacetyl)-L-arabinopyranosyl-3beta-hydroxyolean-12-ene-28,29-dioic acid-28-O-(alpha-L-ramnopyranosyl-(1-4)-beta-D-glucopyranosyl-(1-6)-beta-D-glucopyranosyl) ester, (4aR,6aR,6aS,6bR,10S,12aR,14bR)-10-[(2S,3R,4S,5S)-3,5-diacetyloxy-4-hydroxyoxan-2-yl]oxy-4a-[(2R,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxycarbonyl-2,6a,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2-carboxylic acid, Olean-12-ene-28,29-dioic acid, 3-((2,4-di-O-acetyl-alpha-L-arabinopyranosyl)oxy)-, 28-(O-6-deoxy-alpha-L-mannopyranosyl-(1-4)-O-beta-D-glucopyranosyl-(1-6)-beta-D-glucopyranosyl) ester, (3beta,20alpha)-
| Molecular Formula | C57H88O25 |
|---|---|
| Molecular Weight | 1172.56 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 383.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 25 |
| Rotatable Bonds | 16 |
| Exact Mass | 1172.5615 |
| Heavy Atoms | 82 |
| Complexity | 2390.0 |
Chemical Identifiers
| CAS Number | 141039-75-0 |
|---|---|
| SMILES | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2[C@@H]([C@H](O[C@@H]([C@@H]2O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)OC(=O)[C@@]45CC[C@@]6(C(=CC[C@H]7[C@]6(CCC8[C@@]7(CC[C@@H](C8(C)C)O[C@H]9[C@@H]([C@H]([C@H](CO9)OC(=O)C)O)OC(=O)C)C)C)[C@H]4CC(CC5)(C)C(=O)O)C)CO)O)O)O)O |
| InChIKey | PWDRYGNPXJGTOQ-UFHAFJQVSA-N |
Product Overview
yiyeliangwanoside III (CAS 141039-75-0), with molecular formula C57H88O25 and molecular weight 1172.56 g/mol. IUPAC: (4aR,6aR,6aS,6bR,10S,12aR,14bR)-10-[(2S,3R,4S,5S)-3,5-diacetyloxy-4-hydroxyoxan-2-yl]oxy-4a-[(2R,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxycarbonyl-2,6a,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2-carboxylic acid.
Chemical Property Profile of yiyeliangwanoside III
Property Insights of yiyeliangwanoside III
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for yiyeliangwanoside III. The TPSA of 383.0 Ų indicates high polarity, suggesting yiyeliangwanoside III may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, yiyeliangwanoside III has 11 hydrogen bond donor(s) and 25 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of yiyeliangwanoside III?
The CAS number of yiyeliangwanoside III is 141039-75-0.
What is the molecular formula of yiyeliangwanoside III?
The molecular formula of yiyeliangwanoside III is C57H88O25.
What is the molecular weight of yiyeliangwanoside III?
The molecular weight of yiyeliangwanoside III is 1172.56 g/mol.
Where can I buy yiyeliangwanoside III?
You can request a quote for yiyeliangwanoside III directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for yiyeliangwanoside III?
Yes, KEHONG BIO provides custom synthesis services for yiyeliangwanoside III and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.