荷包花苷B
TL;DR: 荷包花苷B (CAS 105471-98-5) is a chemical compound with molecular formula C23H26O11 and molecular weight 478.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
荷包花苷B
[(2R,3S,4S,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Also Known As: Calceolarioside B, Calceorioside B, Calceolarioside, CalceolariosideB, Desrhamnosyl isoacteoside
| Molecular Formula | C23H26O11 |
|---|---|
| Molecular Weight | 478.15 g/mol |
| LogP | 0.1323 |
| Topological Polar Surface Area | 186.37 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 8 |
| Exact Mass | 478.14752 |
| Heavy Atoms | 34 |
| Complexity | 1021.9711 |
Chemical Identifiers
| CAS Number | 105471-98-5 |
|---|---|
| SMILES | C1=CC(=C(C=C1CCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)/C=C/C3=CC(=C(C=C3)O)O)O)O)O)O)O |
Product Overview
荷包花苷B (CAS 105471-98-5), with molecular formula C23H26O11 and molecular weight 478.15 g/mol. IUPAC: [(2R,3S,4S,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate.
Chemical Property Profile of 荷包花苷B
Property Insights of 荷包花苷B
The XLogP value of 0.1323 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 荷包花苷B. The TPSA of 186.37 Ų indicates high polarity, suggesting 荷包花苷B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 荷包花苷B has 7 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 荷包花苷B?
The CAS number of 荷包花苷B is 105471-98-5.
What is the molecular formula of 荷包花苷B?
The molecular formula of 荷包花苷B is C23H26O11.
What is the molecular weight of 荷包花苷B?
The molecular weight of 荷包花苷B is 478.15 g/mol.
Where can I buy 荷包花苷B?
You can request a quote for 荷包花苷B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 荷包花苷B?
Yes, KEHONG BIO provides custom synthesis services for 荷包花苷B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.