Occidentoside
TL;DR: Occidentoside (CAS 77782-91-3) is a chemical compound with molecular formula C36H32O15 and molecular weight 704.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-5,7-dihydroxy-2-[4-[2,4,6-trihydroxy-3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenoxy]phenyl]-2,3-dihydrochromen-4-one
Also Known As: Occidentoside, (2S)-5,7-dihydroxy-2-[4-[2,4,6-trihydroxy-3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenoxy]phenyl]-2,3-dihydrochromen-4-one, 4H-1-Benzopyran-4-one, 2-(4-(3-beta-D-glucopyranosyl-2,4,6-trihydroxy-5-((2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl)phenoxy)phenyl)-2,3-dihydro-5,7-dihydroxy-, (2S)-, (2S)-2-[4-[3-beta-D-Glucopyranosyl-2,4,6-trihydroxy-5-[(E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]phenoxy]phenyl]-2,3-dihydro-5,7-dihydroxy-4H-1-benzopyran-4-one, (2S)-5,7-dihydroxy-2-(4-{2,4,6-trihydroxy-3-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenoxy}phenyl)-3,4-dihydro-2H-1-benzopyran-4-one
| Molecular Formula | C36H32O15 |
|---|---|
| Molecular Weight | 704.17 g/mol |
| LogP | 2.83 |
| Topological Polar Surface Area | 264.13 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 8 |
| Exact Mass | 704.17413 |
| Heavy Atoms | 51 |
| Complexity | 2003.2377 |
Chemical Identifiers
| CAS Number | 77782-91-3 |
|---|---|
| SMILES | C1[C@H](OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)OC4=C(C(=C(C(=C4O)C(=O)/C=C/C5=CC=C(C=C5)O)O)[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O |
Product Overview
Occidentoside (CAS 77782-91-3), with molecular formula C36H32O15 and molecular weight 704.17 g/mol. IUPAC: (2S)-5,7-dihydroxy-2-[4-[2,4,6-trihydroxy-3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenoxy]phenyl]-2,3-dihydrochromen-4-one.
Chemical Property Profile of Occidentoside
Property Insights of Occidentoside
The XLogP value of 2.83 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Occidentoside. The TPSA of 264.13 Ų indicates high polarity, suggesting Occidentoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Occidentoside has 10 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Occidentoside?
The CAS number of Occidentoside is 77782-91-3.
What is the molecular formula of Occidentoside?
The molecular formula of Occidentoside is C36H32O15.
What is the molecular weight of Occidentoside?
The molecular weight of Occidentoside is 704.17 g/mol.
Where can I buy Occidentoside?
You can request a quote for Occidentoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Occidentoside?
Yes, KEHONG BIO provides custom synthesis services for Occidentoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.