Vanicoside B
TL;DR: Vanicoside B (CAS 155179-21-8) is a chemical compound with molecular formula C49H48O20 and molecular weight 956.27386 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2R,3R,4S,5R)-3-hydroxy-4-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-5-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxyoxolan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
Also Known As: Vanicoside B, [(2R,3R,4S,5R)-3-hydroxy-4-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-5-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxyoxolan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate, alpha-D-Glucopyranoside, 1,3,6-tris-O-((2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl)-beta-D-fructofuranosyl, 6-((2E)-3-(4-hydroxy-3-methoxypehnyl)-2-propenoate), alpha-D-Glucopyranoside, 1,3,6-tris-O-(3-(4-hydroxyphenyl)-1-oxo-2-propenyl)-beta-D-fructofuranosyl, 6-(3-(4-hydroxy-3-methoxyphenyl)-2-propenoate), (1(1(E),3(E),6(E)),6(E))-
Technical Specifications
| Molecular Formula | C49H48O20 |
| Molecular Weight | 956.27386 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 304.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 22 |
| Exact Mass | 956.27386 Da |
| Heavy Atoms | 69 |
| Complexity | 1780.0 |
| SMILES | COC1=C(C=CC(=C1)/C=C/C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@@]3([C@H]([C@@H]([C@H](O3)COC(=O)/C=C/C4=CC=C(C=C4)O)O)OC(=O)/C=C/C5=CC=C(C=C5)O)COC(=O)/C=C/C6=CC=C(C=C6)O)O)O)O)O |
| InChIKey | ALSDWGAQQGXOHC-LMXPHSKJSA-N |
Chemical Property Profile of Vanicoside B
Property Insights of Vanicoside B
The XLogP value of 3.7 indicates that Vanicoside B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 304.0 Ų indicates high polarity, suggesting Vanicoside B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Vanicoside B has 8 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Vanicoside B?
The CAS number of Vanicoside B is 155179-21-8.
What is the molecular formula of Vanicoside B?
The molecular formula of Vanicoside B is C49H48O20.
What is the molecular weight of Vanicoside B?
The molecular weight of Vanicoside B is 956.27386 g/mol.
Where can I buy Vanicoside B?
You can request a quote for Vanicoside B directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Vanicoside B?
Yes, CoreyChem provides custom synthesis services for Vanicoside B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.