Yiyeliangwanoside I
TL;DR: Yiyeliangwanoside I (CAS 135272-49-0) 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,4R,5S)-4,5-diacetyloxy-3-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 I, Olean-12-ene-28,29-dioic acid, 3-((3,4-di-O-acetyl-alpha-L-arabinopyranosyl)oxy)-, 28-(O-6-deoxy-alpha-L-mannopyranosyl-(1-6)-O-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranosyl) ester, (3beta,20alpha)-, (4aR,6aR,6aS,6bR,10S,12aR,14bR)-10-[(2S,3R,4R,5S)-4,5-diacetyloxy-3-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, (4aR,6aR,6aS,6bR,10S,12aR,14bR)-10-[(2S,3R,4R,5S)-4,5-diacetyloxy-3-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
| Molecular Formula | C57H88O25 |
|---|---|
| Molecular Weight | 1172.56 g/mol |
| LogP | -0.1623 |
| Topological Polar Surface Area | 383.11 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 24 |
| Rotatable Bonds | 13 |
| Exact Mass | 1172.5615 |
| Heavy Atoms | 82 |
| Complexity | 2387.7651 |
Chemical Identifiers
| CAS Number | 135272-49-0 |
|---|---|
| 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)OC(=O)C)O)C)C)[C@H]4CC(CC5)(C)C(=O)O)C)CO)O)O)O)O |
Product Overview
Yiyeliangwanoside I (CAS 135272-49-0), with molecular formula C57H88O25 and molecular weight 1172.56 g/mol. IUPAC: (4aR,6aR,6aS,6bR,10S,12aR,14bR)-10-[(2S,3R,4R,5S)-4,5-diacetyloxy-3-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 I
Property Insights of Yiyeliangwanoside I
The XLogP value of -0.1623 indicates that Yiyeliangwanoside I is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 383.11 Ų indicates high polarity, suggesting Yiyeliangwanoside I may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Yiyeliangwanoside I has 11 hydrogen bond donor(s) and 24 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Yiyeliangwanoside I?
The CAS number of Yiyeliangwanoside I is 135272-49-0.
What is the molecular formula of Yiyeliangwanoside I?
The molecular formula of Yiyeliangwanoside I is C57H88O25.
What is the molecular weight of Yiyeliangwanoside I?
The molecular weight of Yiyeliangwanoside I is 1172.56 g/mol.
Where can I buy Yiyeliangwanoside I?
You can request a quote for Yiyeliangwanoside I directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Yiyeliangwanoside I?
Yes, KEHONG BIO provides custom synthesis services for Yiyeliangwanoside I and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.