Agaveside D
TL;DR: Agaveside D (CAS 140400-46-0) is a chemical compound with molecular formula C62H102O30 and molecular weight 1326.6456 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[4,5-dihydroxy-6-[5-hydroxy-4-[5-hydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-6-(hydroxymethyl)-2-(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl)oxyoxan-3-yl]oxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
Also Known As: Agaveside D, 3beta-(alpha-L-Rhamnosyl-(1-2),beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranosyl(beta-D-xylopyranosyl-(1-4)-alpha-L-rhamnopyranosyl-(1-2))-beta-D-glucopyranosyl)-25R-5alpha-spirostane, 2-[4,5-Dihydroxy-6-[5-hydroxy-4-[5-hydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-6-(hydroxymethyl)-2-(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl)oxyoxan-3-yl]oxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol, beta-D-Glucopyranoside, (3beta,5alpha,25R)-spirostan-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-O-(beta-D-glucopyranosyl-(1-3))-O-beta-D-glucopyranosyl-(1-3)-O-(O-beta-D-xylopyranosyl-(1-4)-6-deoxy-alpha-L-mannopyranocyl-(1-2))-, beta-D-Glucopyranoside, (3beta,5alpha,25R)-spirostan-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-O-(beta-D-glucopyranosyl-(1-3))-O-beta-D-glucopyranosyl-(1-3)-O-(O-beta-D-xylopyranosyl-(1-4)-6-deoxy-alpha-L-manopyranosyl-(1-2))-
Technical Specifications
| Molecular Formula | C62H102O30 |
| Molecular Weight | 1326.6456 g/mol |
| XLogP | -2.6 |
| Topological Polar Surface Area (TPSA) | 453.0 Ų |
| Hydrogen Bond Donors | 16 |
| Hydrogen Bond Acceptors | 30 |
| Rotatable Bonds | 15 |
| Exact Mass | 1326.6456 Da |
| Heavy Atoms | 92 |
| Complexity | 2440.0 |
| SMILES | CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)OC7C(C(C(C(O7)CO)O)OC8C(C(C(C(O8)CO)O)OC9C(C(C(CO9)O)O)O)OC2C(C(C(C(O2)C)O)O)O)OC2C(C(C(C(O2)CO)OC2C(C(C(C(O2)C)O)O)O)O)O)C)C)C)OC1 |
| InChIKey | NAQDYYJRPQGJHX-UHFFFAOYSA-N |
Chemical Property Profile of Agaveside D
Property Insights of Agaveside D
The XLogP value of -2.6 indicates that Agaveside D is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 453.0 Ų indicates high polarity, suggesting Agaveside D may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Agaveside D has 16 hydrogen bond donor(s) and 30 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Agaveside D?
The CAS number of Agaveside D is 140400-46-0.
What is the molecular formula of Agaveside D?
The molecular formula of Agaveside D is C62H102O30.
What is the molecular weight of Agaveside D?
The molecular weight of Agaveside D is 1326.6456 g/mol.
Where can I buy Agaveside D?
You can request a quote for Agaveside D directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Agaveside D?
Yes, CoreyChem provides custom synthesis services for Agaveside D and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.