Yamogenin 3-O-neohesperidoside
TL;DR: Yamogenin 3-O-neohesperidoside (CAS 110996-52-6) is a chemical compound with molecular formula C39H62O12 and molecular weight 722.42413 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(1S,2S,4S,5'S,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
Also Known As: Yamogenin 3-O-neohesperidoside, zingiberoside A1, J2.767.366J, (2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(1S,2S,4S,5'S,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol, (25S)-Spirost-5-en-3beta-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside
Technical Specifications
| Molecular Formula | C39H62O12 |
| Molecular Weight | 722.42413 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 177.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 5 |
| Exact Mass | 722.42413 Da |
| Heavy Atoms | 51 |
| Complexity | 1310.0 |
| SMILES | C[C@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O)O)O)C)C)C)OC1 |
| InChIKey | HDXIQHTUNGFJIC-SFYWSABLSA-N |
Chemical Property Profile of Yamogenin 3-O-neohesperidoside
Property Insights of Yamogenin 3-O-neohesperidoside
The XLogP value of 3.0 indicates that Yamogenin 3-O-neohesperidoside is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 177.0 Ų indicates high polarity, suggesting Yamogenin 3-O-neohesperidoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Yamogenin 3-O-neohesperidoside has 6 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Yamogenin 3-O-neohesperidoside?
The CAS number of Yamogenin 3-O-neohesperidoside is 110996-52-6.
What is the molecular formula of Yamogenin 3-O-neohesperidoside?
The molecular formula of Yamogenin 3-O-neohesperidoside is C39H62O12.
What is the molecular weight of Yamogenin 3-O-neohesperidoside?
The molecular weight of Yamogenin 3-O-neohesperidoside is 722.42413 g/mol.
Where can I buy Yamogenin 3-O-neohesperidoside?
You can request a quote for Yamogenin 3-O-neohesperidoside directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Yamogenin 3-O-neohesperidoside?
Yes, CoreyChem provides custom synthesis services for Yamogenin 3-O-neohesperidoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.