Neodarutoside
TL;DR: Neodarutoside (CAS 125776-03-6) is a chemical compound with molecular formula C32H54O13 and molecular weight 646.35645 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[7-[2-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-1,1,4a,7-tetramethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthren-2-yl]oxy]oxane-3,4,5-triol
Also Known As: Neodarutoside, 3,15,16-Trihydroxypimarane 3,15-bis(glucopyranoside), (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[7-[2-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-1,1,4a,7-tetramethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthren-2-yl]oxy]oxane-3,4,5-triol, 3-(Hexopyranosyloxy)-16-hydroxypimar-8(14)-en-15-yl hexopyranoside, beta-D-Glucopyranoside, 1-(7-(beta-D-glucopyranosyloxy)-2,3,4,4a,4b,5,6,7,8,8a,9,10-dodecahydro-2,4b,8,8-tetramethyl-2-phenanthrenyl)-2-hydroxyethyl
Technical Specifications
| Molecular Formula | C32H54O13 |
| Molecular Weight | 646.35645 g/mol |
| XLogP | 0.0 |
| Topological Polar Surface Area (TPSA) | 219.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 8 |
| Exact Mass | 646.35645 Da |
| Heavy Atoms | 45 |
| Complexity | 1060.0 |
| SMILES | CC1(C2CCC3=CC(CCC3C2(CCC1O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C)(C)C(CO)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C |
| InChIKey | NPDAQZUAWDTCIZ-YJCQVRHNSA-N |
Chemical Property Profile of Neodarutoside
Property Insights of Neodarutoside
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Neodarutoside. The TPSA of 219.0 Ų indicates high polarity, suggesting Neodarutoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Neodarutoside has 9 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Neodarutoside?
The CAS number of Neodarutoside is 125776-03-6.
What is the molecular formula of Neodarutoside?
The molecular formula of Neodarutoside is C32H54O13.
What is the molecular weight of Neodarutoside?
The molecular weight of Neodarutoside is 646.35645 g/mol.
Where can I buy Neodarutoside?
You can request a quote for Neodarutoside directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Neodarutoside?
Yes, CoreyChem provides custom synthesis services for Neodarutoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.