Demethylisoalangiside
TL;DR: Demethylisoalangiside (CAS 169531-70-8) is a chemical compound with molecular formula C24H29NO10 and molecular weight 491.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,15S,16R,17S)-16-ethenyl-4,5-dihydroxy-15-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-14-oxa-10-azatetracyclo[8.8.0.02,7.012,17]octadeca-2,4,6,12-tetraen-11-one
Also Known As: Demethylisoalangiside, (1S,15S,16R,17S)-16-ethenyl-4,5-dihydroxy-15-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-14-oxa-10-azatetracyclo[8.8.0.02,7.012,17]octadeca-2,4,6,12-tetraen-11-one, (11S)-2,3-Dihydroxy-11beta-(beta-D-glucopyranosyloxy)-12alpha-ethenyl-5,11,12,12abeta,13,13aalpha-hexahydro-6H,8H-benzo[a]pyrano[3,4-g]quinolizin-8-one, (1S,15S,16R,17S)-16-ethenyl-4,5-dihydroxy-15-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-14-oxa-10-azatetracyclo(8.8.0.02,7.012,17)octadeca-2,4,6,12-tetraen-11-one, (3S,4R,4aS,5aS)-4-ethenyl-7,8-dihydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4,4a,5,5a,10,11,13-octahydro-2-oxa-12-azatetraphen-13-one
| Molecular Formula | C24H29NO10 |
|---|---|
| Molecular Weight | 491.18 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 169.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 491.17914 |
| Heavy Atoms | 35 |
| Complexity | 852.0 |
Chemical Identifiers
| CAS Number | 169531-70-8 |
|---|---|
| SMILES | C=C[C@@H]1[C@@H]2C[C@H]3C4=CC(=C(C=C4CCN3C(=O)C2=CO[C@H]1O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O |
| InChIKey | ODZVWJRTEQQVCO-ICBTVIENSA-N |
Product Overview
Demethylisoalangiside (CAS 169531-70-8), with molecular formula C24H29NO10 and molecular weight 491.18 g/mol. IUPAC: (1S,15S,16R,17S)-16-ethenyl-4,5-dihydroxy-15-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-14-oxa-10-azatetracyclo[8.8.0.02,7.012,17]octadeca-2,4,6,12-tetraen-11-one.
Chemical Property Profile of Demethylisoalangiside
Property Insights of Demethylisoalangiside
The XLogP value of -0.5 indicates that Demethylisoalangiside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 169.0 Ų indicates high polarity, suggesting Demethylisoalangiside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Demethylisoalangiside has 6 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 Demethylisoalangiside?
The CAS number of Demethylisoalangiside is 169531-70-8.
What is the molecular formula of Demethylisoalangiside?
The molecular formula of Demethylisoalangiside is C24H29NO10.
What is the molecular weight of Demethylisoalangiside?
The molecular weight of Demethylisoalangiside is 491.18 g/mol.
Where can I buy Demethylisoalangiside?
You can request a quote for Demethylisoalangiside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Demethylisoalangiside?
Yes, KEHONG BIO provides custom synthesis services for Demethylisoalangiside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.