Sarasinoside B1
TL;DR: Sarasinoside B1 (CAS 114066-50-1) is a chemical compound with molecular formula C61H98N2O25 and molecular weight 1258.6459 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[2-[5-[3-acetamido-6-[[4,5-dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-[[4,4,10,13-tetramethyl-17-(6-methyl-4-oxohept-5-en-2-yl)-1,2,3,5,6,7,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Also Known As: Sarasinoside B1, Sarasinoside-B1, N-[2-[5-[3-acetamido-6-[[4,5-dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-[[4,4,10,13-tetramethyl-17-(6-methyl-4-oxohept-5-en-2-yl)-1,2,3,5,6,7,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide, Cholesta-8,24-dien-23-one, 3-((O-2- (acetylamino)-2-deoxy-beta-D-galactopyranosyl-(1-4)-O-(O-beta-D-glucopyranosyl-(1-2)-O-beta-D-xylopyranosyl-(1-6)-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1-2))-beta-D-xylopyranosyl)oxy)-4,4-dimethyl-, (3beta,5alpha)-
Technical Specifications
| Molecular Formula | C61H98N2O25 |
| Molecular Weight | 1258.6459 g/mol |
| XLogP | -1.4 |
| Topological Polar Surface Area (TPSA) | 410.0 Ų |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 25 |
| Rotatable Bonds | 19 |
| Exact Mass | 1258.6459 Da |
| Heavy Atoms | 88 |
| Complexity | 2490.0 |
| SMILES | CC(CC(=O)C=C(C)C)C1CCC2C1(CCC3=C2CCC4C3(CCC(C4(C)C)OC5C(C(C(CO5)OC6C(C(C(C(O6)CO)O)O)NC(=O)C)O)OC7C(C(C(C(O7)COC8C(C(C(CO8)O)O)OC9C(C(C(C(O9)CO)O)O)O)O)O)NC(=O)C)C)C |
| InChIKey | RLZMJVGFNSVJOP-UHFFFAOYSA-N |
Chemical Property Profile of Sarasinoside B1
Property Insights of Sarasinoside B1
The XLogP value of -1.4 indicates that Sarasinoside B1 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 410.0 Ų indicates high polarity, suggesting Sarasinoside B1 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Sarasinoside B1 has 14 hydrogen bond donor(s) and 25 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Sarasinoside B1?
The CAS number of Sarasinoside B1 is 114066-50-1.
What is the molecular formula of Sarasinoside B1?
The molecular formula of Sarasinoside B1 is C61H98N2O25.
What is the molecular weight of Sarasinoside B1?
The molecular weight of Sarasinoside B1 is 1258.6459 g/mol.
Where can I buy Sarasinoside B1?
You can request a quote for Sarasinoside B1 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Sarasinoside B1?
Yes, CoreyChem provides custom synthesis services for Sarasinoside B1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.