Orbicuside A
TL;DR: Orbicuside A (CAS 116174-67-5) is a chemical compound with molecular formula C30H36O10 and molecular weight 556.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,11-dihydroxy-3,7,22-trimethyl-8-(6-oxopyran-3-yl)-13,19,21,26,27-pentaoxaoctacyclo[22.2.1.01,18.03,16.04,12.07,11.012,14.020,25]heptacosan-6-one
Also Known As: Orbicuside A, 3a,14-dihydroxy-9,13a,15a-trimethyl-1-(2-oxo-2h-pyran-5-yl)hexadecahydro-4ah,7ah-11,12a-epoxycyclopenta[7,8]oxireno[8a,9]phenanthro[2,3-b]pyrano[3,2-e][1,4]dioxin-15(1h)-one
| Molecular Formula | C30H36O10 |
|---|---|
| Molecular Weight | 556.23 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 133.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 1 |
| Exact Mass | 556.23083 |
| Heavy Atoms | 40 |
| Complexity | 1290.0 |
Chemical Identifiers
| CAS Number | 116174-67-5 |
|---|---|
| SMILES | CC1CC2C3C(O1)OC4CC5CC6C7(O6)C(C5(CC4(O2)O3)C)C(C(=O)C8(C7(CCC8C9=COC(=O)C=C9)O)C)O |
| InChIKey | NSYJPLAMKNVZBX-UHFFFAOYSA-N |
Product Overview
Orbicuside A (CAS 116174-67-5), with molecular formula C30H36O10 and molecular weight 556.23 g/mol. IUPAC: 5,11-dihydroxy-3,7,22-trimethyl-8-(6-oxopyran-3-yl)-13,19,21,26,27-pentaoxaoctacyclo[22.2.1.01,18.03,16.04,12.07,11.012,14.020,25]heptacosan-6-one.
Chemical Property Profile of Orbicuside A
Property Insights of Orbicuside A
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Orbicuside A. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Orbicuside A. Following Lipinski's Rule of Five, Orbicuside A has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Orbicuside A?
The CAS number of Orbicuside A is 116174-67-5.
What is the molecular formula of Orbicuside A?
The molecular formula of Orbicuside A is C30H36O10.
What is the molecular weight of Orbicuside A?
The molecular weight of Orbicuside A is 556.23 g/mol.
Where can I buy Orbicuside A?
You can request a quote for Orbicuside A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Orbicuside A?
Yes, KEHONG BIO provides custom synthesis services for Orbicuside A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.