Acetylbovoside D
TL;DR: Acetylbovoside D (CAS 100991-80-8) is a chemical compound with molecular formula C33H46O11 and molecular weight 618.304 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[3-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-10-formyl-14-hydroxy-13-methyl-17-(6-oxopyran-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate
Also Known As: Acetylbovoside D, Acetylbovosid D, Acetylbovosid D [German], 5-beta-Bufa-20,22-dienolide, 3-beta-((6-deoxy-3-O-methylglucopyranosyl)oxy)-14,16-dihydroxy-19-oxo-, 16-acetate, [3-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-10-formyl-14-hydroxy-13-methyl-17-(6-oxopyran-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate
Technical Specifications
| Molecular Formula | C33H46O11 |
| Molecular Weight | 618.304 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 158.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 618.304 Da |
| Heavy Atoms | 44 |
| Complexity | 1220.0 |
| SMILES | CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CC(C5C6=COC(=O)C=C6)OC(=O)C)O)C)C=O)O)OC)O |
| InChIKey | XBAVBFJNZQVZDW-UHFFFAOYSA-N |
Chemical Property Profile of Acetylbovoside D
Property Insights of Acetylbovoside D
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetylbovoside D. The TPSA of 158.0 Ų indicates high polarity, suggesting Acetylbovoside D may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Acetylbovoside D has 3 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Acetylbovoside D?
The CAS number of Acetylbovoside D is 100991-80-8.
What is the molecular formula of Acetylbovoside D?
The molecular formula of Acetylbovoside D is C33H46O11.
What is the molecular weight of Acetylbovoside D?
The molecular weight of Acetylbovoside D is 618.304 g/mol.
Where can I buy Acetylbovoside D?
You can request a quote for Acetylbovoside D directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Acetylbovoside D?
Yes, CoreyChem provides custom synthesis services for Acetylbovoside D and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.