人蔘皂苷
TL;DR: 人蔘皂苷 (CAS 22427-39-0) is a chemical compound with molecular formula C42H72O14 and molecular weight 800.49 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
人蔘皂苷
2-[[3,12-dihydroxy-4,4,7,10,14-pentamethyl-17-[6-methyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-1,2,3,5,6,7,8,9,11,12,13,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Also Known As: Panaxoside A, Ginsenoside RG1, 2-[[3,12-dihydroxy-4,4,7,10,14-pentamethyl-17-[6-methyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-1,2,3,5,6,7,8,9,11,12,13,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol, 2-[6-(hexopyranosyloxy)-3,12-dihydroxy-4,4,7,10,14-pentamethylgonan-17-yl]-6-methylhept-5-en-2-yl hexopyranoside
| Molecular Formula | C42H72O14 |
|---|---|
| Molecular Weight | 800.49 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 239.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 10 |
| Exact Mass | 800.4922 |
| Heavy Atoms | 56 |
| Complexity | 1390.0 |
Chemical Identifiers
| CAS Number | 22427-39-0 |
|---|---|
| SMILES | CC1C2C(CC(C3C2(CCC3C(C)(CCC=C(C)C)OC4C(C(C(C(O4)CO)O)O)O)C)O)C5(CCC(C(C5C1OC6C(C(C(C(O6)CO)O)O)O)(C)C)O)C |
| InChIKey | IMRDPGPCESGXDB-UHFFFAOYSA-N |
Product Overview
人蔘皂苷 (CAS 22427-39-0), with molecular formula C42H72O14 and molecular weight 800.49 g/mol. IUPAC: 2-[[3,12-dihydroxy-4,4,7,10,14-pentamethyl-17-[6-methyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-1,2,3,5,6,7,8,9,11,12,13,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol.
Chemical Property Profile of 人蔘皂苷
Property Insights of 人蔘皂苷
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 人蔘皂苷. The TPSA of 239.0 Ų indicates high polarity, suggesting 人蔘皂苷 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 人蔘皂苷 has 10 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 人蔘皂苷?
The CAS number of 人蔘皂苷 is 22427-39-0.
What is the molecular formula of 人蔘皂苷?
The molecular formula of 人蔘皂苷 is C42H72O14.
What is the molecular weight of 人蔘皂苷?
The molecular weight of 人蔘皂苷 is 800.49 g/mol.
Where can I buy 人蔘皂苷?
You can request a quote for 人蔘皂苷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 人蔘皂苷?
Yes, KEHONG BIO provides custom synthesis services for 人蔘皂苷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.