松果菊苷
TL;DR: 松果菊苷 (CAS 82854-37-3) is a chemical compound with molecular formula C35H46O20 and molecular weight 786.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
松果菊苷
[(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] 3-(3,4-dihydroxyphenyl)prop-2-enoate
Also Known As: Echinacoside, (2R,3R,4R,5R,6R)-6-(3,4-Dihydroxyphenethoxy)-5-hydroxy-2-((((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)-4-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-3-yl 3-(3,4-dihydroxyphenyl)acrylate, [(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] 3-(3,4-dihydroxyphenyl)prop-2-enoate, [(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)tetrahydropyran-2-yl]oxymethyl]-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl] 3-(3,4-dihydroxyphenyl)prop-2-enoate
| Molecular Formula | C35H46O20 |
|---|---|
| Molecular Weight | 786.26 g/mol |
| LogP | -2.1 |
| Topological Polar Surface Area | 324.0 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 14 |
| Exact Mass | 786.25824 |
| Heavy Atoms | 55 |
| Complexity | 1230.0 |
Chemical Identifiers
| CAS Number | 82854-37-3 |
|---|---|
| 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=CC3=CC(=C(C=C3)O)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 | FSBUXLDOLNLABB-WZJPPVJYSA-N |
Product Overview
松果菊苷 (CAS 82854-37-3), with molecular formula C35H46O20 and molecular weight 786.26 g/mol. IUPAC: [(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] 3-(3,4-dihydroxyphenyl)prop-2-enoate.
Chemical Property Profile of 松果菊苷
Property Insights of 松果菊苷
The XLogP value of -2.1 indicates that 松果菊苷 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 324.0 Ų indicates high polarity, suggesting 松果菊苷 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 松果菊苷 has 12 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 松果菊苷?
The CAS number of 松果菊苷 is 82854-37-3.
What is the molecular formula of 松果菊苷?
The molecular formula of 松果菊苷 is C35H46O20.
What is the molecular weight of 松果菊苷?
The molecular weight of 松果菊苷 is 786.26 g/mol.
Where can I buy 松果菊苷?
You can request a quote for 松果菊苷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 松果菊苷?
Yes, KEHONG BIO provides custom synthesis services for 松果菊苷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.