Neoalsoside A
TL;DR: Neoalsoside A (CAS 143452-01-1) is a chemical compound with molecular formula C48H82O18 and molecular weight 946.5501 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-2-[(10R,12S,14R)-12-hydroxy-17-[(2S,4S,5S)-4-hydroxy-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,6,10,14-pentamethyl-1,2,3,5,6,7,8,9,11,12,13,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]-6-(hydroxymethyl)-2-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
Also Known As: Neoalsoside A, (2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-2-[(10R,12S,14R)-12-hydroxy-17-[(2S,4S,5S)-4-hydroxy-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,6,10,14-pentamethyl-1,2,3,5,6,7,8,9,11,12,13,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]-6-(hydroxymethyl)-2-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol, 12,23,25-Trihydroxy-20,24-epoxydammarane-3-O-rhamnosyl-1-2-rhamnosyl-1-3-glucoside, (2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-2-[(10R,12S,14R)-12-hydroxy-17-[(2S,4S,5S)-4-hydroxy-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,6,10,14-pentamethyl-1,2,3,5,6,7,8,9,11,12,13,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]-6-, 12 beta, 23 beta, 25-trihydroxy-(20S)(24S)-epoxy-dammarane 3-O-alpha-L-rhamnosyl(1----2)-alpha -rhamnosyl(1---- 3)-beta-D-glucoside
Technical Specifications
| Molecular Formula | C48H82O18 |
| Molecular Weight | 946.5501 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 298.0 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 8 |
| Exact Mass | 946.5501 Da |
| Heavy Atoms | 66 |
| Complexity | 1740.0 |
| SMILES | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@]2(C3CC[C@@]4(C5C[C@@H](C6C(CC[C@@]6(C5CC(C4C3(C)C)C)C)[C@@]7(C[C@@H]([C@H](O7)C(C)(C)O)O)C)O)C)O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O)O)O)CO)O)O)O)O)O |
| InChIKey | PKPZGKIGQKTIPZ-NZYAALCUSA-N |
Chemical Property Profile of Neoalsoside A
Property Insights of Neoalsoside A
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Neoalsoside A. The TPSA of 298.0 Ų indicates high polarity, suggesting Neoalsoside A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Neoalsoside A has 12 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Neoalsoside A?
The CAS number of Neoalsoside A is 143452-01-1.
What is the molecular formula of Neoalsoside A?
The molecular formula of Neoalsoside A is C48H82O18.
What is the molecular weight of Neoalsoside A?
The molecular weight of Neoalsoside A is 946.5501 g/mol.
Where can I buy Neoalsoside A?
You can request a quote for Neoalsoside A directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Neoalsoside A?
Yes, CoreyChem provides custom synthesis services for Neoalsoside A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.