saikosaponin B1
TL;DR: saikosaponin B1 (CAS 58558-08-0) is a chemical compound with molecular formula C42H68O13 and molecular weight 780.47 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[[(3S,4R,4aR,6aR,6bS,8S,8aS,14bS)-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,14a-dodecahydropicen-3-yl]oxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-methyloxane-3,4,5-triol
Also Known As: saikosaponin B1, Saikosapanin B1, Saikosaponin-B1, 5-Methyl-2-thiopheneboronic acid, (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[[(3S,4R,4aR,6aR,6bS,8S,8aS,14bS)-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,14a-dodecahydropicen-3-yl]oxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-methyloxane-3,4,5-triol
| Molecular Formula | C42H68O13 |
|---|---|
| Molecular Weight | 780.47 g/mol |
| LogP | 1.6806 |
| Topological Polar Surface Area | 218.99 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 7 |
| Exact Mass | 780.466 |
| Heavy Atoms | 55 |
| Complexity | 1502.856 |
Chemical Identifiers
| CAS Number | 58558-08-0 |
|---|---|
| SMILES | C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O[C@H]3CC[C@]4([C@H]([C@]3(C)CO)CC[C@@]5(C4C=CC6=C7CC(CC[C@@]7([C@H](C[C@]65C)O)CO)(C)C)C)C)CO)O)O)O)O |
Product Overview
saikosaponin B1 (CAS 58558-08-0), with molecular formula C42H68O13 and molecular weight 780.47 g/mol. IUPAC: (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[[(3S,4R,4aR,6aR,6bS,8S,8aS,14bS)-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,14a-dodecahydropicen-3-yl]oxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-methyloxane-3,4,5-triol.
Chemical Property Profile of saikosaponin B1
Property Insights of saikosaponin B1
The XLogP value of 1.6806 suggests moderate lipophilicity, balancing water solubility and membrane permeability for saikosaponin B1. The TPSA of 218.99 Ų indicates high polarity, suggesting saikosaponin B1 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, saikosaponin B1 has 9 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of saikosaponin B1?
The CAS number of saikosaponin B1 is 58558-08-0.
What is the molecular formula of saikosaponin B1?
The molecular formula of saikosaponin B1 is C42H68O13.
What is the molecular weight of saikosaponin B1?
The molecular weight of saikosaponin B1 is 780.47 g/mol.
Where can I buy saikosaponin B1?
You can request a quote for saikosaponin B1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for saikosaponin B1?
Yes, KEHONG BIO provides custom synthesis services for saikosaponin B1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.