Incanumine
TL;DR: Incanumine (CAS 15019-25-7) is a chemical compound with molecular formula C49H79NO19 and molecular weight 985.52 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4,5-dihydroxy-6-[5-hydroxy-2-(hydroxymethyl)-6-(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-16-yl)oxy-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-3-yl]oxy-2-methyloxan-3-yl]oxyoxane-3,4,5-triol
Also Known As: Incanumine, spirosol-5-en-3-yl pentopyranosyl-(1-, O(3)-(beta-Xylopyranosyl-(1-3(glu))-(beta-xylopyranosyl-(1-4)-alpha-rhamnopyranosyl-(1-4(glu)))-beta-glucopyranosyl)-solasodine, (3beta,22alpha,25R)-Spirosol-5-en-3-yl O-beta-D-xylopyranosyl-(1-3)-O-(O-beta-D-xylopyranosyl-(1-4)-6-deoxy-L-mannopyranosyl-(1-4))-beta-D-glucopyranoside, 2-[4,5-dihydroxy-6-[5-hydroxy-2-(hydroxymethyl)-6-(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-16-yl)oxy-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-3-yl]oxy-2-methyloxan-3-yl]oxyoxane-3,4,5-triol
| Molecular Formula | C49H79NO19 |
|---|---|
| Molecular Weight | 985.52 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 297.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 9 |
| Exact Mass | 985.52466 |
| Heavy Atoms | 69 |
| Complexity | 1830.0 |
Chemical Identifiers
| CAS Number | 15019-25-7 |
|---|---|
| SMILES | CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)C)OC9C(C(C(CO9)O)O)O)O)O)OC2C(C(C(CO2)O)O)O)O)C)C)C)NC1 |
| InChIKey | JUIQDBJRSFBVFU-UHFFFAOYSA-N |
Product Overview
Incanumine (CAS 15019-25-7), with molecular formula C49H79NO19 and molecular weight 985.52 g/mol. IUPAC: 2-[4,5-dihydroxy-6-[5-hydroxy-2-(hydroxymethyl)-6-(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-16-yl)oxy-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-3-yl]oxy-2-methyloxan-3-yl]oxyoxane-3,4,5-triol.
Chemical Property Profile of Incanumine
Property Insights of Incanumine
The XLogP value of -0.9 indicates that Incanumine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 297.0 Ų indicates high polarity, suggesting Incanumine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Incanumine has 11 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Incanumine?
The CAS number of Incanumine is 15019-25-7.
What is the molecular formula of Incanumine?
The molecular formula of Incanumine is C49H79NO19.
What is the molecular weight of Incanumine?
The molecular weight of Incanumine is 985.52 g/mol.
Where can I buy Incanumine?
You can request a quote for Incanumine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Incanumine?
Yes, KEHONG BIO provides custom synthesis services for Incanumine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.