Secogalioside
TL;DR: Secogalioside (CAS 61774-57-0) is a chemical compound with molecular formula C17H24O12 and molecular weight 420.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1S,2S,3S,7S,9S,11R)-11-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,10,12-trioxatricyclo[7.2.1.02,7]dodec-5-ene-6-carboxylate
Also Known As: Secogalioside, methyl (1S,2S,3S,7S,9S,11R)-11-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,10,12-trioxatricyclo[7.2.1.02,7]dodec-5-ene-6-carboxylate, (1S,8R)-1alpha-(beta-D-Glucopyranosyloxy)-4aalpha,5,6,8,9,9aalpha-hexahydro-8-hydroxy-6beta,9beta-epoxy-1H-pyrano[3,4-d]oxepine-4-carboxylic acid methyl ester, 6,9-Epoxy-1H-pyrano[3,4-d]oxepin-4-carboxylic acid, 1-(.beta.-D-glucopyranosyloxy)-4a,5,6,8,9,9a-hexahydro-8-hydroxy-, methyl ester, [1S-(1.alpha.,4a.alpha.,6.beta.,8.beta.,9.beta.,9a.alpha.)]-, methyl (1S,2S,3S,7S,9S,11R)-11-hydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,10,12-trioxatricyclo[7.2.1.02,7]dodec-5-ene-6-carboxylate
| Molecular Formula | C17H24O12 |
|---|---|
| Molecular Weight | 420.13 g/mol |
| LogP | -2.4 |
| Topological Polar Surface Area | 174.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 5 |
| Exact Mass | 420.12677 |
| Heavy Atoms | 29 |
| Complexity | 654.0 |
Chemical Identifiers
| CAS Number | 61774-57-0 |
|---|---|
| SMILES | COC(=O)C1=CO[C@H]([C@H]2[C@@H]1C[C@H]3O[C@@H]2[C@@H](O3)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O |
| InChIKey | PSTHWEAXBIXPRZ-LGMONBIRSA-N |
Product Overview
Secogalioside (CAS 61774-57-0), with molecular formula C17H24O12 and molecular weight 420.13 g/mol. IUPAC: methyl (1S,2S,3S,7S,9S,11R)-11-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,10,12-trioxatricyclo[7.2.1.02,7]dodec-5-ene-6-carboxylate.
Chemical Property Profile of Secogalioside
Property Insights of Secogalioside
The XLogP value of -2.4 indicates that Secogalioside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 174.0 Ų indicates high polarity, suggesting Secogalioside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Secogalioside has 5 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Secogalioside?
The CAS number of Secogalioside is 61774-57-0.
What is the molecular formula of Secogalioside?
The molecular formula of Secogalioside is C17H24O12.
What is the molecular weight of Secogalioside?
The molecular weight of Secogalioside is 420.13 g/mol.
Where can I buy Secogalioside?
You can request a quote for Secogalioside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Secogalioside?
Yes, KEHONG BIO provides custom synthesis services for Secogalioside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.