Gipsoside
TL;DR: Gipsoside (CAS 76470-87-6) is a chemical compound with molecular formula C80H126O44 and molecular weight 1790.76 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[[8a-[5-[3,5-dihydroxy-6-methyl-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-3-[3,5-dihydroxy-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxycarbonyl-4-formyl-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxane-2-carboxylic acid
Also Known As: Gipsoside, Gypsoside, pentopyranosyl-(1-, (3beta,4alpha)-23,28-Dioxo-28-((O-D-xylopyranosyl-(1-3)-O-6-deoxy-D-galactopyranosyl-(1-4)-O-(O-D-xylopyranosyl-(1-3)-D-xylopyranosyl-(1-2))-6-deoxy-L-mannopyranosyl)oxy)olean-12-en-3-yl O-L-arabinopyranosyl-(1-3)-O-(O-D-galactopyranosyl-(1-4)-D-glucopyranosyl-(1-4))-D-glucopyransidosiduronic acid, 6-[[8a-[5-[3,5-dihydroxy-6-methyl-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-3-[3,5-dihydroxy-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxycarbonyl-4-formyl-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxane-2-carboxylic acid
| Molecular Formula | C80H126O44 |
|---|---|
| Molecular Weight | 1790.76 g/mol |
| LogP | -8.0 |
| Topological Polar Surface Area | 683.0 Ų |
| Hydrogen Bond Donors | 23 |
| Hydrogen Bond Acceptors | 44 |
| Rotatable Bonds | 23 |
| Exact Mass | 1790.7622 |
| Heavy Atoms | 124 |
| Complexity | 3670.0 |
Chemical Identifiers
| CAS Number | 76470-87-6 |
|---|---|
| SMILES | CC1C(C(C(C(O1)OC2C(OC(C(C2O)OC3C(C(C(CO3)O)OC4C(C(C(CO4)O)O)O)O)OC(=O)C56CCC(CC5C7=CCC8C9(CCC(C(C9CCC8(C7(CC6)C)C)(C)C=O)OC1C(C(C(C(O1)C(=O)O)OC1C(C(C(C(O1)CO)OC1C(C(C(C(O1)CO)O)O)O)O)O)OC1C(C(C(CO1)O)O)O)O)C)(C)C)C)O)OC1C(C(C(CO1)O)O)O)O |
| InChIKey | VJDBQMHOQSSGGS-UHFFFAOYSA-N |
Product Overview
Gipsoside (CAS 76470-87-6), with molecular formula C80H126O44 and molecular weight 1790.76 g/mol. IUPAC: 6-[[8a-[5-[3,5-dihydroxy-6-methyl-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-3-[3,5-dihydroxy-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxycarbonyl-4-formyl-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxane-2-carboxylic acid.
Chemical Property Profile of Gipsoside
Property Insights of Gipsoside
The XLogP value of -8.0 indicates that Gipsoside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 683.0 Ų indicates high polarity, suggesting Gipsoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Gipsoside has 23 hydrogen bond donor(s) and 44 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Gipsoside?
The CAS number of Gipsoside is 76470-87-6.
What is the molecular formula of Gipsoside?
The molecular formula of Gipsoside is C80H126O44.
What is the molecular weight of Gipsoside?
The molecular weight of Gipsoside is 1790.76 g/mol.
Where can I buy Gipsoside?
You can request a quote for Gipsoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Gipsoside?
Yes, KEHONG BIO provides custom synthesis services for Gipsoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.