Pfafforside B
TL;DR: Pfafforside B (CAS 78244-75-4) is a chemical compound with molecular formula C68H110O33 and molecular weight 1454.69 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-[16-[5-[4-[3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[5-[4-[3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-4-hydroxyoxan-2-yl]oxy-2,6,13,17,17-pentamethyl-8-oxo-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icos-1(20)-en-6-yl]-4-methylpentan-2-yl] acetate
Also Known As: Pfafforside B, Stichloroside A, Pfaffoside B, [1-[16-[5-[4-[3,5-Dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[5-[4-[3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-4-hydroxyoxan-2-yl]oxy-2,6,13,17,17-pentamethyl-8-oxo-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icos-1(20)-en-6-yl]-4-methylpentan-2-yl] acetate, Lanost-7-en-18-oic acid, 23-(acetyloxy)-20-hydroxy-3-((O-3-O-methyl-beta-D-glucopyranosyl-(1->3)-O-beta-D-glucopyranosyl-(1->4)-O-(O-3-O-methyl-beta-D-glucopyranosyl-(1->3)-O-beta-D-glucopyranosyl-(1->4)-beta-D-xylopyranosyl-(1->2))-beta-D-xylopyranosyl)oxy)-, gamma-lactone, (3beta,9beta,23S)-
| Molecular Formula | C68H110O33 |
|---|---|
| Molecular Weight | 1454.69 g/mol |
| LogP | -1.8 |
| Topological Polar Surface Area | 485.0 Ų |
| Hydrogen Bond Donors | 15 |
| Hydrogen Bond Acceptors | 33 |
| Rotatable Bonds | 24 |
| Exact Mass | 1454.693 |
| Heavy Atoms | 101 |
| Complexity | 2820.0 |
Chemical Identifiers
| CAS Number | 78244-75-4 |
|---|---|
| SMILES | CC(C)CC(CC1(C2CCC3(C2(CCC4C3=CCC5C4(CCC(C5(C)C)OC6C(C(C(CO6)OC7C(C(C(C(O7)CO)O)OC8C(C(C(C(O8)CO)O)OC)O)O)O)OC9C(C(C(CO9)OC2C(C(C(C(O2)CO)O)OC2C(C(C(C(O2)CO)O)OC)O)O)O)O)C)C(=O)O1)C)C)OC(=O)C |
| InChIKey | UTTMVFMTWNLRGZ-UHFFFAOYSA-N |
Product Overview
Pfafforside B (CAS 78244-75-4), with molecular formula C68H110O33 and molecular weight 1454.69 g/mol. IUPAC: [1-[16-[5-[4-[3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[5-[4-[3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-4-hydroxyoxan-2-yl]oxy-2,6,13,17,17-pentamethyl-8-oxo-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icos-1(20)-en-6-yl]-4-methylpentan-2-yl] acetate.
Chemical Property Profile of Pfafforside B
Property Insights of Pfafforside B
The XLogP value of -1.8 indicates that Pfafforside B is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 485.0 Ų indicates high polarity, suggesting Pfafforside B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pfafforside B has 15 hydrogen bond donor(s) and 33 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pfafforside B?
The CAS number of Pfafforside B is 78244-75-4.
What is the molecular formula of Pfafforside B?
The molecular formula of Pfafforside B is C68H110O33.
What is the molecular weight of Pfafforside B?
The molecular weight of Pfafforside B is 1454.69 g/mol.
Where can I buy Pfafforside B?
You can request a quote for Pfafforside B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pfafforside B?
Yes, KEHONG BIO provides custom synthesis services for Pfafforside B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.