Darutoside
TL;DR: Darutoside (CAS 59219-65-7) is a chemical compound with molecular formula C26H44O8 and molecular weight 484.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,4S,5S,6R)-2-[[(4aS,4bS,7S,10aS)-7-[(1R)-1,2-dihydroxyethyl]-1,4a,7,9-tetramethyl-1,2,3,4,4b,5,6,9,10,10a-decahydrophenanthren-2-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Also Known As: Darutoside, (3R,4S,5S,6R)-2-[[(4aS,4bS,7S,10aS)-7-[(1R)-1,2-dihydroxyethyl]-1,4a,7,9-tetramethyl-1,2,3,4,4b,5,6,9,10,10a-decahydrophenanthren-2-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol, 7-(1,2-Dihydroxyethyl)-1,4a,7,9-tetramethyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthren-2-yl hexopyranoside, (3R,4S,5S,6R)-2-(((4aS,4bS,7S,10aS)-7-((1R)-1,2-dihydroxyethyl)-1,4a,7,9-tetramethyl-1,2,3,4,4b,5,6,9,10,10a-decahydrophenanthren-2-yl)oxy)-6-(hydroxymethyl)oxane-3,4,5-triol, (4aS,4bS,7S,10aS)-7-[(1R)-1,2-Dihydroxyethyl]-1,4a,7,9-tetramethyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthren-2-yl D-glucopyranoside
| Molecular Formula | C26H44O8 |
|---|---|
| Molecular Weight | 484.30 g/mol |
| LogP | 0.9596 |
| Topological Polar Surface Area | 139.84 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 484.30362 |
| Heavy Atoms | 34 |
| Complexity | 757.08264 |
Chemical Identifiers
| CAS Number | 59219-65-7 |
|---|---|
| SMILES | CC1C[C@H]2C(C(CC[C@@]2([C@H]3C1=C[C@@](CC3)(C)[C@H](CO)O)C)OC4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C |
Product Overview
Darutoside (CAS 59219-65-7), with molecular formula C26H44O8 and molecular weight 484.30 g/mol. IUPAC: (3R,4S,5S,6R)-2-[[(4aS,4bS,7S,10aS)-7-[(1R)-1,2-dihydroxyethyl]-1,4a,7,9-tetramethyl-1,2,3,4,4b,5,6,9,10,10a-decahydrophenanthren-2-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol.
Chemical Property Profile of Darutoside
Property Insights of Darutoside
The XLogP value of 0.9596 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Darutoside. The TPSA of 139.84 Ų falls within the moderate polarity range, balancing permeability and solubility for Darutoside. Following Lipinski's Rule of Five, Darutoside has 6 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Darutoside?
The CAS number of Darutoside is 59219-65-7.
What is the molecular formula of Darutoside?
The molecular formula of Darutoside is C26H44O8.
What is the molecular weight of Darutoside?
The molecular weight of Darutoside is 484.30 g/mol.
Where can I buy Darutoside?
You can request a quote for Darutoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Darutoside?
Yes, KEHONG BIO provides custom synthesis services for Darutoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.