Sandolanid
TL;DR: Sandolanid (CAS 56795-65-4) is a chemical compound with molecular formula C43H66O15 and molecular weight 822.44 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6-[6-[[6-[[12,14-dihydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-hydroxyoxan-2-yl]methoxy]-4-hydroxy-2-methyloxan-3-yl]oxy-3-hydroxy-2-methyloxan-4-yl] acetate
Also Known As: Sandolanid, alpha-Acetyldigoxin, [6-[6-[[6-[[12,14-dihydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-hydroxyoxan-2-yl]methoxy]-4-hydroxy-2-methyloxan-3-yl]oxy-3-hydroxy-2-methyloxan-4-yl] acetate, 3-{[3-o-acetyl-2,6-dideoxyhexopyranosyl-(1->4)-2,6-dideoxyhexopyranosyl-(1->6)-2,4-dideoxyhexopyranosyl]oxy}-12,14-dihydroxycard-20(22)-enolide
| Molecular Formula | C43H66O15 |
|---|---|
| Molecular Weight | 822.44 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 209.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 10 |
| Exact Mass | 822.4402 |
| Heavy Atoms | 58 |
| Complexity | 1540.0 |
Chemical Identifiers
| CAS Number | 56795-65-4 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2C(OC(CC2O)OCC3CC(CC(O3)OC4CCC5(C(C4)CCC6C5CC(C7(C6(CCC7C8=CC(=O)OC8)O)C)O)C)O)C)OC(=O)C)O |
| InChIKey | KIOXJNPWRPISHM-UHFFFAOYSA-N |
Product Overview
Sandolanid (CAS 56795-65-4), with molecular formula C43H66O15 and molecular weight 822.44 g/mol. IUPAC: [6-[6-[[6-[[12,14-dihydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-hydroxyoxan-2-yl]methoxy]-4-hydroxy-2-methyloxan-3-yl]oxy-3-hydroxy-2-methyloxan-4-yl] acetate.
Chemical Property Profile of Sandolanid
Property Insights of Sandolanid
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Sandolanid. The TPSA of 209.0 Ų indicates high polarity, suggesting Sandolanid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Sandolanid has 5 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Sandolanid?
The CAS number of Sandolanid is 56795-65-4.
What is the molecular formula of Sandolanid?
The molecular formula of Sandolanid is C43H66O15.
What is the molecular weight of Sandolanid?
The molecular weight of Sandolanid is 822.44 g/mol.
Where can I buy Sandolanid?
You can request a quote for Sandolanid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sandolanid?
Yes, KEHONG BIO provides custom synthesis services for Sandolanid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.