11-O-beta-Glucosyl decaloside
TL;DR: 11-O-beta-Glucosyl decaloside (CAS 78808-77-2) is a chemical compound with molecular formula C21H32O14 and molecular weight 508.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4R,5R,6S)-6-[[(4aS,7aS)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-2-(hydroxymethyl)-3-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol
Also Known As: 11-O-beta-Glucosyl decaloside, Angiotensin II, sar(1)-ala(7)-, beta-D-Glucopyranoside, 4-((beta-D-glucopyranosyloxy)methyl)-1,4a,5,7a-tetrahydro-5-hydroxycyclopenta(c)pyran-1-yl, (1S-(1alpha,4aalpha,5alpha,7aalpha))-, (2S,3S,4R,5R,6S)-6-[[(4aS,7aS)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-2-(hydroxymethyl)-3-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol
| Molecular Formula | C21H32O14 |
|---|---|
| Molecular Weight | 508.18 g/mol |
| LogP | -3.8 |
| Topological Polar Surface Area | 228.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 7 |
| Exact Mass | 508.1792 |
| Heavy Atoms | 35 |
| Complexity | 794.0 |
Chemical Identifiers
| CAS Number | 78808-77-2 |
|---|---|
| SMILES | C1C=C[C@H]2[C@@H]1C=COC2O[C@@H]3[C@@H]([C@H]([C@]([C@@](O3)(CO)O)(CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O |
| InChIKey | KESWFQTVZLHROJ-PKGCHALSSA-N |
Product Overview
11-O-beta-Glucosyl decaloside (CAS 78808-77-2), with molecular formula C21H32O14 and molecular weight 508.18 g/mol. IUPAC: (2S,3S,4R,5R,6S)-6-[[(4aS,7aS)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-2-(hydroxymethyl)-3-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol.
Chemical Property Profile of 11-O-beta-Glucosyl decaloside
Property Insights of 11-O-beta-Glucosyl decaloside
The XLogP value of -3.8 indicates that 11-O-beta-Glucosyl decaloside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 228.0 Ų indicates high polarity, suggesting 11-O-beta-Glucosyl decaloside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 11-O-beta-Glucosyl decaloside has 9 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 11-O-beta-Glucosyl decaloside?
The CAS number of 11-O-beta-Glucosyl decaloside is 78808-77-2.
What is the molecular formula of 11-O-beta-Glucosyl decaloside?
The molecular formula of 11-O-beta-Glucosyl decaloside is C21H32O14.
What is the molecular weight of 11-O-beta-Glucosyl decaloside?
The molecular weight of 11-O-beta-Glucosyl decaloside is 508.18 g/mol.
Where can I buy 11-O-beta-Glucosyl decaloside?
You can request a quote for 11-O-beta-Glucosyl decaloside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11-O-beta-Glucosyl decaloside?
Yes, KEHONG BIO provides custom synthesis services for 11-O-beta-Glucosyl decaloside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.