Hydramacroside B
TL;DR: Hydramacroside B (CAS 161161-67-7) is a chemical compound with molecular formula C30H38O13 and molecular weight 606.23126 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4S)-1-[(4aS,5R,6S)-5-ethenyl-1-oxo-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-3-yl]-4-hydroxy-8-(4-hydroxyphenyl)octane-2,6-dione
Also Known As: Hydramacroside B, (4S)-1-[(4aS,5R,6S)-5-ethenyl-1-oxo-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-3-yl]-4-hydroxy-8-(4-hydroxyphenyl)octane-2,6-dione, (4aS,5R,6S)-5-Ethenyl-3-[(4S)-4-hydroxy-8-(4-hydroxyphenyl)-2,6-dioxooctyl]-1-oxo-4,4a,5,6-tetrahydro-1H,3H-pyrano[3,4-c]pyran-6-yl beta-D-allopyranoside, 5-Ethenyl-3-[4-hydroxy-8-(4-hydroxyphenyl)-2,6-dioxooctyl]-1-oxo-4,4a,5,6-tetrahydro-1H,3H-pyrano[3,4-c]pyran-6-yl hexopyranoside
Technical Specifications
| Molecular Formula | C30H38O13 |
| Molecular Weight | 606.23126 g/mol |
| XLogP | -0.7 |
| Topological Polar Surface Area (TPSA) | 210.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 13 |
| Exact Mass | 606.23126 Da |
| Heavy Atoms | 43 |
| Complexity | 1020.0 |
| SMILES | C=C[C@@H]1[C@@H]2CC(OC(=O)C2=CO[C@H]1O[C@H]3[C@@H]([C@@H]([C@@H]([C@H](O3)CO)O)O)O)CC(=O)C[C@H](CC(=O)CCC4=CC=C(C=C4)O)O |
| InChIKey | NRVMYJKCFMJRML-LACQVYASSA-N |
Chemical Property Profile of Hydramacroside B
Property Insights of Hydramacroside B
The XLogP value of -0.7 indicates that Hydramacroside B is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 210.0 Ų indicates high polarity, suggesting Hydramacroside B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Hydramacroside B has 6 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Hydramacroside B?
The CAS number of Hydramacroside B is 161161-67-7.
What is the molecular formula of Hydramacroside B?
The molecular formula of Hydramacroside B is C30H38O13.
What is the molecular weight of Hydramacroside B?
The molecular weight of Hydramacroside B is 606.23126 g/mol.
Where can I buy Hydramacroside B?
You can request a quote for Hydramacroside B directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Hydramacroside B?
Yes, CoreyChem provides custom synthesis services for Hydramacroside B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.