Anemarrhenasaponin II
TL;DR: Anemarrhenasaponin II (CAS 163047-22-1) is a chemical compound with molecular formula C39H66O14 and molecular weight 758.45 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[[3,6-dihydroxy-7,9,13-trimethyl-6-(3-methylbutyl)-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-16-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Also Known As: Anemarrhenasaponin I, Anemarrhenasaponin-I, Anemarrhenasaponin II, 15,22-Dihydroxyfurostan-3-yl 2-O-hexopyranosylhexopyranoside, b-D-Galactopyranoside, (3b,5b,15b)-15,22-dihydroxyfurostan-3-yl 2-O-b-D-glucopyranosyl-
| Molecular Formula | C39H66O14 |
|---|---|
| Molecular Weight | 758.45 g/mol |
| LogP | 0.395 |
| Topological Polar Surface Area | 228.22 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 9 |
| Exact Mass | 758.44525 |
| Heavy Atoms | 53 |
| Complexity | 1272.4088 |
Chemical Identifiers
| CAS Number | 163047-22-1 |
|---|---|
| SMILES | CC1C2C(C(C3C2(CCC4C3CCC5C4(CCC(C5)OC6C(C(C(C(O6)CO)O)O)OC7C(C(C(C(O7)CO)O)O)O)C)C)O)OC1(CCC(C)C)O |
Product Overview
Anemarrhenasaponin II (CAS 163047-22-1), with molecular formula C39H66O14 and molecular weight 758.45 g/mol. IUPAC: 2-[2-[[3,6-dihydroxy-7,9,13-trimethyl-6-(3-methylbutyl)-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-16-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol.
Chemical Property Profile of Anemarrhenasaponin II
Property Insights of Anemarrhenasaponin II
The XLogP value of 0.395 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Anemarrhenasaponin II. The TPSA of 228.22 Ų indicates high polarity, suggesting Anemarrhenasaponin II may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Anemarrhenasaponin II has 9 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Anemarrhenasaponin II?
The CAS number of Anemarrhenasaponin II is 163047-22-1.
What is the molecular formula of Anemarrhenasaponin II?
The molecular formula of Anemarrhenasaponin II is C39H66O14.
What is the molecular weight of Anemarrhenasaponin II?
The molecular weight of Anemarrhenasaponin II is 758.45 g/mol.
Where can I buy Anemarrhenasaponin II?
You can request a quote for Anemarrhenasaponin II directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Anemarrhenasaponin II?
Yes, KEHONG BIO provides custom synthesis services for Anemarrhenasaponin II and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.