Otophylloside B 4'''-O-beta-D-cymaropyranoside
TL;DR: Otophylloside B 4'''-O-beta-D-cymaropyranoside (CAS 171422-85-8) is a chemical compound with molecular formula C56H90O19 and molecular weight 1066.61 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[17-acetyl-8,14,17-trihydroxy-3-[5-[5-[5-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-12-yl] (E)-3,4-dimethylpent-2-enoate
Also Known As: Otophylloside B 4'''-O-beta-D-cymaropyranoside, Otophylloside B 4'''-O-beta-D-oleandropyranoside, [17-acetyl-8,14,17-trihydroxy-3-[5-[5-[5-(5-hydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl)oxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-10,13-dimethyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-12-yl] (E)-3,4-dimethylpent-2-enoate, [17-acetyl-8,14,17-trihydroxy-3-[5-[5-[5-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-12-yl] (E)-3,4-dimethylpent-2-enoate, 3-((2,6-Dideoxy-4-O-(2,6-dideoxy-4-O-(2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methylhexopyranosyl)-3-O-methylhexopyranosyl)-3-O-methylhexopyranosyl)-3-O-methylhexopyranosyl)oxy)-8,14,17-trihydroxy-20-oxopregn-5-en-12-yl 3,4-dimethyl-2-pentenoate
| Molecular Formula | C56H90O19 |
|---|---|
| Molecular Weight | 1066.61 g/mol |
| LogP | 5.1244 |
| Topological Polar Surface Area | 235.05 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 16 |
| Exact Mass | 1066.6077 |
| Heavy Atoms | 75 |
| Complexity | 2069.767 |
Chemical Identifiers
| CAS Number | 171422-85-8 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2C(OC(CC2OC)OC3C(OC(CC3OC)OC4C(OC(CC4OC)OC5CCC6(C7CC(C8(C(CCC8(C7(CC=C6C5)O)O)(C(=O)C)O)C)OC(=O)/C=C(\C)/C(C)C)C)C)C)C)OC)O |
Product Overview
Otophylloside B 4'''-O-beta-D-cymaropyranoside (CAS 171422-85-8), with molecular formula C56H90O19 and molecular weight 1066.61 g/mol. IUPAC: [17-acetyl-8,14,17-trihydroxy-3-[5-[5-[5-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-12-yl] (E)-3,4-dimethylpent-2-enoate.
Chemical Property Profile of Otophylloside B 4'''-O-beta-D-cymaropyranoside
Property Insights of Otophylloside B 4'''-O-beta-D-cymaropyranoside
The XLogP value of 5.1244 indicates that Otophylloside B 4'''-O-beta-D-cymaropyranoside is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 235.05 Ų indicates high polarity, suggesting Otophylloside B 4'''-O-beta-D-cymaropyranoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Otophylloside B 4'''-O-beta-D-cymaropyranoside has 4 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 Otophylloside B 4'''-O-beta-D-cymaropyranoside?
The CAS number of Otophylloside B 4'''-O-beta-D-cymaropyranoside is 171422-85-8.
What is the molecular formula of Otophylloside B 4'''-O-beta-D-cymaropyranoside?
The molecular formula of Otophylloside B 4'''-O-beta-D-cymaropyranoside is C56H90O19.
What is the molecular weight of Otophylloside B 4'''-O-beta-D-cymaropyranoside?
The molecular weight of Otophylloside B 4'''-O-beta-D-cymaropyranoside is 1066.61 g/mol.
Where can I buy Otophylloside B 4'''-O-beta-D-cymaropyranoside?
You can request a quote for Otophylloside B 4'''-O-beta-D-cymaropyranoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Otophylloside B 4'''-O-beta-D-cymaropyranoside?
Yes, KEHONG BIO provides custom synthesis services for Otophylloside B 4'''-O-beta-D-cymaropyranoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.