Ajugose
TL;DR: Ajugose (CAS 512-72-1) is a chemical compound with molecular formula C36H62O31 and molecular weight 990.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R,4S,5R,6R)-2-[[(2R,3R,4S,5R,6S)-6-[[(2R,3R,4S,5R,6S)-6-[[(2R,3R,4S,5R,6S)-6-[[(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Also Known As: Ajugose, D-AJUGOSE, GlyTouCan:G07095PT, Methylsulfuric Acid Sodium Salt, G07095PT
| Molecular Formula | C36H62O31 |
|---|---|
| Molecular Weight | 990.33 g/mol |
| LogP | -12.3 |
| Topological Polar Surface Area | 506.0 Ų |
| Hydrogen Bond Donors | 20 |
| Hydrogen Bond Acceptors | 31 |
| Rotatable Bonds | 17 |
| Exact Mass | 990.3275 |
| Heavy Atoms | 67 |
| Complexity | 1530.0 |
Chemical Identifiers
| CAS Number | 512-72-1 |
|---|---|
| SMILES | C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)OC[C@@H]3[C@@H]([C@@H]([C@H]([C@H](O3)OC[C@@H]4[C@@H]([C@@H]([C@H]([C@H](O4)OC[C@@H]5[C@H]([C@@H]([C@H]([C@H](O5)O[C@]6([C@H]([C@@H]([C@H](O6)CO)O)O)CO)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O |
| InChIKey | NCIHJQNXRKJRMJ-HKJJPIHFSA-N |
Product Overview
Ajugose (CAS 512-72-1), with molecular formula C36H62O31 and molecular weight 990.33 g/mol. IUPAC: (2S,3R,4S,5R,6R)-2-[[(2R,3R,4S,5R,6S)-6-[[(2R,3R,4S,5R,6S)-6-[[(2R,3R,4S,5R,6S)-6-[[(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol.
Chemical Property Profile of Ajugose
Property Insights of Ajugose
The XLogP value of -12.3 indicates that Ajugose is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 506.0 Ų indicates high polarity, suggesting Ajugose may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ajugose has 20 hydrogen bond donor(s) and 31 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ajugose?
The CAS number of Ajugose is 512-72-1.
What is the molecular formula of Ajugose?
The molecular formula of Ajugose is C36H62O31.
What is the molecular weight of Ajugose?
The molecular weight of Ajugose is 990.33 g/mol.
Where can I buy Ajugose?
You can request a quote for Ajugose directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ajugose?
Yes, KEHONG BIO provides custom synthesis services for Ajugose and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.