Scroside B
TL;DR: Scroside B (CAS 211566-91-5) is a chemical compound with molecular formula C31H40O16 and molecular weight 668.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Also Known As: Scroside B, Plantainoside E, ((2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(2-(3-hydroxy-4-methoxyphenyl)ethoxy)-4-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyoxan-2-yl)methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate, [(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate, [(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]methyl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
| Molecular Formula | C31H40O16 |
|---|---|
| Molecular Weight | 668.23 g/mol |
| LogP | -1.4375 |
| Topological Polar Surface Area | 243.52 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 13 |
| Exact Mass | 668.2316 |
| Heavy Atoms | 47 |
| Complexity | 1350.7992 |
Chemical Identifiers
| CAS Number | 211566-91-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)/C=C/C3=CC(=C(C=C3)O)OC)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O |
Product Overview
Scroside B (CAS 211566-91-5), with molecular formula C31H40O16 and molecular weight 668.23 g/mol. IUPAC: [(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate.
Chemical Property Profile of Scroside B
Property Insights of Scroside B
The XLogP value of -1.4375 indicates that Scroside B is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 243.52 Ų indicates high polarity, suggesting Scroside B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Scroside B has 8 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Scroside B?
The CAS number of Scroside B is 211566-91-5.
What is the molecular formula of Scroside B?
The molecular formula of Scroside B is C31H40O16.
What is the molecular weight of Scroside B?
The molecular weight of Scroside B is 668.23 g/mol.
Where can I buy Scroside B?
You can request a quote for Scroside B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Scroside B?
Yes, KEHONG BIO provides custom synthesis services for Scroside B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.