Gitostin
TL;DR: Gitostin (CAS 11003-88-6) is a chemical compound with molecular formula C42H66O19 and molecular weight 874.42 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-14,16-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
Also Known As: Gitostin, 4-18-00-02475 (Beilstein Handbook Reference), 3-[3-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-14,16-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one, 3-{[Hexopyranosyl-(1->4)hexopyranosyl-(1->4)-6-deoxy-3-O-methylhexopyranosyl]oxy}-14,16-dihydroxycard-20(22)-enolide
| Molecular Formula | C42H66O19 |
|---|---|
| Molecular Weight | 874.42 g/mol |
| LogP | -2.4 |
| Topological Polar Surface Area | 293.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 10 |
| Exact Mass | 874.4198 |
| Heavy Atoms | 61 |
| Complexity | 1600.0 |
Chemical Identifiers
| CAS Number | 11003-88-6 |
|---|---|
| SMILES | CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CC(C5C6=CC(=O)OC6)O)O)C)C)O)OC)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)O)O)O)O |
| InChIKey | QCLOKNWFEAWYLG-UHFFFAOYSA-N |
Product Overview
Gitostin (CAS 11003-88-6), with molecular formula C42H66O19 and molecular weight 874.42 g/mol. IUPAC: 3-[3-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-14,16-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one.
Chemical Property Profile of Gitostin
Property Insights of Gitostin
The XLogP value of -2.4 indicates that Gitostin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 293.0 Ų indicates high polarity, suggesting Gitostin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Gitostin has 10 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Gitostin?
The CAS number of Gitostin is 11003-88-6.
What is the molecular formula of Gitostin?
The molecular formula of Gitostin is C42H66O19.
What is the molecular weight of Gitostin?
The molecular weight of Gitostin is 874.42 g/mol.
Where can I buy Gitostin?
You can request a quote for Gitostin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Gitostin?
Yes, KEHONG BIO provides custom synthesis services for Gitostin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.