Hexandraside B
TL;DR: Hexandraside B (CAS 128988-54-5) is a chemical compound with molecular formula C41H52O21 and molecular weight 880.3001 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2R,3R,4S,5R,6S)-6-[(2S,3R,4R,5S,6S)-3,5-dihydroxy-2-[5-hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-4-oxo-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-3-yl]oxy-6-methyloxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate
Also Known As: Hexandraside B, Anhydroicaritin 3-(6-O-acetylgalactosyl(1-3)rhamnoside)-7-glucoside, [(2R,3R,4S,5R,6S)-6-[(2S,3R,4R,5S,6S)-3,5-dihydroxy-2-[5-hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-4-oxo-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-3-yl]oxy-6-methyloxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate, 3-((3-O-(6-O-Acetyl-beta-D-galactopyranosyl)-6-deoxy-alpha-L-mannopyranosyl)oxy)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one, ((2R,3R,4S,5R,6S)-6-((2S,3R,4R,5S,6S)-3,5-dihydroxy-2-(5-hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-4-oxo-7-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxychromen-3-yl)oxy-6-methyloxan-4-yl)oxy-3,4,5-trihydroxyoxan-2-yl)methyl acetate
Technical Specifications
| Molecular Formula | C41H52O21 |
| Molecular Weight | 880.3001 g/mol |
| XLogP | 0.1 |
| Topological Polar Surface Area (TPSA) | 320.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 14 |
| Exact Mass | 880.3001 Da |
| Heavy Atoms | 62 |
| Complexity | 1580.0 |
| SMILES | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=C(C2=O)C(=CC(=C3CC=C(C)C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)C5=CC=C(C=C5)OC)O)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)COC(=O)C)O)O)O)O |
| InChIKey | SCGIMZSPRPPEMA-AYTNJEMSSA-N |
Chemical Property Profile of Hexandraside B
Property Insights of Hexandraside B
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hexandraside B. The TPSA of 320.0 Ų indicates high polarity, suggesting Hexandraside B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Hexandraside B has 10 hydrogen bond donor(s) and 21 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Hexandraside B?
The CAS number of Hexandraside B is 128988-54-5.
What is the molecular formula of Hexandraside B?
The molecular formula of Hexandraside B is C41H52O21.
What is the molecular weight of Hexandraside B?
The molecular weight of Hexandraside B is 880.3001 g/mol.
Where can I buy Hexandraside B?
You can request a quote for Hexandraside B directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Hexandraside B?
Yes, CoreyChem provides custom synthesis services for Hexandraside B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.