Graciloside
TL;DR: Graciloside (CAS 466-10-4) is a chemical compound with molecular formula C36H56O13 and molecular weight 696.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[14-hydroxy-3-[5-hydroxy-4-methoxy-6-methyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
Also Known As: Graciloside, Odoroside F, Odorosid F, 3-[(6-Deoxy-2-O-hexopyranosyl-3-O-methylhexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide, 3-[14-hydroxy-3-[5-hydroxy-4-methoxy-6-methyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
| Molecular Formula | C36H56O13 |
|---|---|
| Molecular Weight | 696.37 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 194.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 7 |
| Exact Mass | 696.3721 |
| Heavy Atoms | 49 |
| Complexity | 1260.0 |
Chemical Identifiers
| CAS Number | 466-10-4 |
|---|---|
| SMILES | CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5C6=CC(=O)OC6)O)C)C)OC7C(C(C(C(O7)CO)O)O)O)OC)O |
| InChIKey | NBMKMJSSZYZNRL-UHFFFAOYSA-N |
Product Overview
Graciloside (CAS 466-10-4), with molecular formula C36H56O13 and molecular weight 696.37 g/mol. IUPAC: 3-[14-hydroxy-3-[5-hydroxy-4-methoxy-6-methyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one.
Chemical Property Profile of Graciloside
Property Insights of Graciloside
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Graciloside. The TPSA of 194.0 Ų indicates high polarity, suggesting Graciloside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Graciloside has 6 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Graciloside?
The CAS number of Graciloside is 466-10-4.
What is the molecular formula of Graciloside?
The molecular formula of Graciloside is C36H56O13.
What is the molecular weight of Graciloside?
The molecular weight of Graciloside is 696.37 g/mol.
Where can I buy Graciloside?
You can request a quote for Graciloside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Graciloside?
Yes, KEHONG BIO provides custom synthesis services for Graciloside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.