Songarosaponin B
TL;DR: Songarosaponin B (CAS 141544-47-0) is a chemical compound with molecular formula C54H90O22 and molecular weight 1090.59 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[6-[2-[[6a-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-5-hydroxy-6-methyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
Also Known As: Songarosaponin B, 2-[6-[2-[[6a-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-5-hydroxy-6-methyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol, 3-O-((alpha-L-Rhamnopyranosyl(1-4)-beta-D-glucopyranosyl(1-3))-(beta-D-glucopyranosyl(1-2))-beta-D-fucopyranosyl)-olea-11-ene-3,13,23,28-tetrol, beta-D-Galactopyranoside, (3beta,4alpha,13xi)-12,23,28-trihydroxyolean-11-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-4)-O-beta-D-glucopyranosyl-(1-3)-O-(beta-D-glucopyranosyl-(1-2))-6-deoxy-, 2-[2-[[6a-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1h-picen-3-yl]oxy]-4-[3,4-dihydroxy-6-(hydroxymethyl)-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-5-hydroxy-6-methyloxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
| Molecular Formula | C54H90O22 |
|---|---|
| Molecular Weight | 1090.59 g/mol |
| LogP | -1.5635 |
| Topological Polar Surface Area | 357.06 Ų |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 12 |
| Exact Mass | 1090.5924 |
| Heavy Atoms | 76 |
| Complexity | 2050.1704 |
Chemical Identifiers
| CAS Number | 141544-47-0 |
|---|---|
| SMILES | CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(C(OC(C3OC4C(C(C(C(O4)CO)O)O)O)OC5CCC6(C(C5(C)CO)CCC7(C6C=CC8(C7(CCC9(C8CC(CC9)(C)C)CO)C)O)C)C)C)O)CO)O)O)O |
Product Overview
Songarosaponin B (CAS 141544-47-0), with molecular formula C54H90O22 and molecular weight 1090.59 g/mol. IUPAC: 2-[6-[2-[[6a-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-5-hydroxy-6-methyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol.
Chemical Property Profile of Songarosaponin B
Property Insights of Songarosaponin B
The XLogP value of -1.5635 indicates that Songarosaponin B is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 357.06 Ų indicates high polarity, suggesting Songarosaponin B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Songarosaponin B has 14 hydrogen bond donor(s) and 22 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Songarosaponin B?
The CAS number of Songarosaponin B is 141544-47-0.
What is the molecular formula of Songarosaponin B?
The molecular formula of Songarosaponin B is C54H90O22.
What is the molecular weight of Songarosaponin B?
The molecular weight of Songarosaponin B is 1090.59 g/mol.
Where can I buy Songarosaponin B?
You can request a quote for Songarosaponin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Songarosaponin B?
Yes, KEHONG BIO provides custom synthesis services for Songarosaponin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.