Holotoxin A1
TL;DR: Holotoxin A1 (CAS 85344-35-0) is a chemical compound with molecular formula C66H104O31 and molecular weight 1392.66 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
16-[5-[4-[3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[5-[4-[3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxyoxan-3-yl]oxy-2,6,13,17,17-pentamethyl-6-(4-methylpent-4-enyl)-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icos-11-ene-4,8-dione
Also Known As: Holotoxin A1, 3-o-methylhexopyranosyl-(1-, 16-[5-[4-[3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[5-[4-[3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxyoxan-3-yl]oxy-2,6,13,17,17-pentamethyl-6-(4-methylpent-4-enyl)-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icos-11-ene-4,8-dione, 3-o-methylhexopyranosyl-(1->3)hexopyranosyl-(1->4)-2-o-[16,18-dioxo-18,20-epoxylanosta-9(11),25-dien-3-yl]pentopyranosyl 3-o-methylhexopyranosyl-(1->3)pentopyranosyl-(1->4)-6-deoxyhexopyranoside, Lanosta-9(11),25-dien-18-oic acid, 20-hydroxy-3-((O-3-O-methyl-beta-D-glucopyranosyl-(1-3)-O-beta-D-glucopyranosyl-(1-4)-O-(O-3-O-methyl-beta-D-glucopyranosyl-(1-3)-O-beta-D-xylopyranosyl-(1-4)-6-deoxy-beta-D-glucopyranosyl-(1-2)-beta-D-xylopyranosyl)oxy)-16-oxy-, gamma-lactone, (3beta)-
| Molecular Formula | C66H104O31 |
|---|---|
| Molecular Weight | 1392.66 g/mol |
| LogP | -2.1 |
| Topological Polar Surface Area | 456.0 Ų |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 31 |
| Rotatable Bonds | 21 |
| Exact Mass | 1392.6561 |
| Heavy Atoms | 97 |
| Complexity | 2780.0 |
Chemical Identifiers
| CAS Number | 85344-35-0 |
|---|---|
| SMILES | CC1C(C(C(C(O1)OC2C(C(C(CO2)OC3C(C(C(C(O3)CO)O)OC4C(C(C(C(O4)CO)O)OC)O)O)O)OC5CCC6(C(C5(C)C)CCC7C6=CCC89C7(CC(=O)C8C(OC9=O)(C)CCCC(=C)C)C)C)O)O)OC1C(C(C(CO1)O)OC1C(C(C(C(O1)CO)O)OC)O)O |
| InChIKey | ZFOUAAXBXISYFU-UHFFFAOYSA-N |
Product Overview
Holotoxin A1 (CAS 85344-35-0), with molecular formula C66H104O31 and molecular weight 1392.66 g/mol. IUPAC: 16-[5-[4-[3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[5-[4-[3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxyoxan-3-yl]oxy-2,6,13,17,17-pentamethyl-6-(4-methylpent-4-enyl)-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icos-11-ene-4,8-dione.
Chemical Property Profile of Holotoxin A1
Property Insights of Holotoxin A1
The XLogP value of -2.1 indicates that Holotoxin A1 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 456.0 Ų indicates high polarity, suggesting Holotoxin A1 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Holotoxin A1 has 14 hydrogen bond donor(s) and 31 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Holotoxin A1?
The CAS number of Holotoxin A1 is 85344-35-0.
What is the molecular formula of Holotoxin A1?
The molecular formula of Holotoxin A1 is C66H104O31.
What is the molecular weight of Holotoxin A1?
The molecular weight of Holotoxin A1 is 1392.66 g/mol.
Where can I buy Holotoxin A1?
You can request a quote for Holotoxin A1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Holotoxin A1?
Yes, KEHONG BIO provides custom synthesis services for Holotoxin A1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.