TL;DR: Neohancoside B (CAS 146763-56-6) is a chemical compound with molecular formula C21H36O11 and molecular weight 464.22577 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(6E)-8-hydroxy-3,7-dimethylocta-1,6-dien-3-yl]oxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxane-3,4,5-triol
Also Known As: Neohancoside B, 2-[(6E)-8-hydroxy-3,7-dimethylocta-1,6-dien-3-yl]oxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxane-3,4,5-triol, 2-((6E)-8-hydroxy-3,7-dimethylocta-1,6-dien-3-yl)oxy-6-((3,4,5-trihydroxyoxan-2-yl)oxymethyl)oxane-3,4,5-triol, beta-D-Glucopyranoside, 1-ethenyl-6-hydroxy-1,5-dimethyl-4-hexenyl 6-O-beta-D-xylopyranosyl-
| Molecular Formula | C21H36O11 |
| Molecular Weight | 464.22577 g/mol |
| XLogP | -2.2 |
| Topological Polar Surface Area (TPSA) | 179.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 10 |
| Exact Mass | 464.22577 Da |
| Heavy Atoms | 32 |
| Complexity | 629.0 |
| SMILES | C/C(=C\CCC(C)(C=C)OC1C(C(C(C(O1)COC2C(C(C(CO2)O)O)O)O)O)O)/CO |
| InChIKey | DPZKDTYWRPFLJI-IZZDOVSWSA-N |
The XLogP value of -2.2 indicates that Neohancoside B is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 179.0 Ų indicates high polarity, suggesting Neohancoside B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Neohancoside B has 7 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Neohancoside B is 146763-56-6.
The molecular formula of Neohancoside B is C21H36O11.
The molecular weight of Neohancoside B is 464.22577 g/mol.
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