Cistanbuloside B1
TL;DR: Cistanbuloside B1 (CAS 130009-44-8) is a chemical compound with molecular formula C35H46O19 and molecular weight 770.2633 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
Also Known As: Cistantubuloside B1, Cistanbuloside B1, J2.334.351G, (2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-4-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-3-yl (2E)-3-(4-hydroxyphenyl)prop-2-enoate, 1-O-[2-(3,4-Dihydroxyphenyl)ethyl]-3-O-(alpha-L-rhamnopyranosyl)-6-O-(beta-D-glucopyranosyl)-4-O-[(E)-3-(4-hydroxyphenyl)propenoyl]-beta-D-glucopyranose
Technical Specifications
| Molecular Formula | C35H46O19 |
| Molecular Weight | 770.2633 g/mol |
| XLogP | -1.7 |
| Topological Polar Surface Area (TPSA) | 304.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 14 |
| Exact Mass | 770.2633 Da |
| Heavy Atoms | 54 |
| Complexity | 1190.0 |
| 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]2OC(=O)/C=C/C3=CC=C(C=C3)O)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)OCCC5=CC(=C(C=C5)O)O)O)O)O)O |
| InChIKey | PMQVHVYIDZRZIK-VSCMRGHWSA-N |
Chemical Property Profile of Cistanbuloside B1
Property Insights of Cistanbuloside B1
The XLogP value of -1.7 indicates that Cistanbuloside B1 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 304.0 Ų indicates high polarity, suggesting Cistanbuloside B1 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cistanbuloside B1 has 11 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Cistanbuloside B1?
The CAS number of Cistanbuloside B1 is 130009-44-8.
What is the molecular formula of Cistanbuloside B1?
The molecular formula of Cistanbuloside B1 is C35H46O19.
What is the molecular weight of Cistanbuloside B1?
The molecular weight of Cistanbuloside B1 is 770.2633 g/mol.
Where can I buy Cistanbuloside B1?
You can request a quote for Cistanbuloside B1 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Cistanbuloside B1?
Yes, CoreyChem provides custom synthesis services for Cistanbuloside B1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.