O-Rhamnosyl-(1''-4')wedeloside
TL;DR: O-Rhamnosyl-(1''-4')wedeloside (CAS 74686-31-0) is a chemical compound with molecular formula C46H65NO17 and molecular weight 903.43 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4S,7S,9S,10S,13S,15R)-13,15-dihydroxy-7-[(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-3-(3-methylbutanoylamino)-4-(3-phenylpropanoyloxy)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-9-methyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5,5-dicarboxylic acid
Also Known As: RHWE, O-Rhamnosyl-(1''-4')wedeloside, (4S,7S,9S,10S,13S,15R)-13,15-Dihydroxy-7-[(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-3-(3-methylbutanoylamino)-4-(3-phenylpropanoyloxy)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-9-methyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5,5-dicarboxylic acid
| Molecular Formula | C46H65NO17 |
|---|---|
| Molecular Weight | 903.43 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 288.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 15 |
| Exact Mass | 903.42523 |
| Heavy Atoms | 64 |
| Complexity | 1740.0 |
Chemical Identifiers
| CAS Number | 74686-31-0 |
|---|---|
| SMILES | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2OC(=O)CCC3=CC=CC=C3)NC(=O)CC(C)C)O[C@H]4C[C@]5([C@@H]6CC[C@@]7(CC6(CC[C@@H]5C(C4)(C(=O)O)C(=O)O)[C@H](C7=C)O)O)C)CO)O)O)O |
| InChIKey | ZHWHQGPOENZPRA-LDVPZJJESA-N |
Product Overview
O-Rhamnosyl-(1''-4')wedeloside (CAS 74686-31-0), with molecular formula C46H65NO17 and molecular weight 903.43 g/mol. IUPAC: (4S,7S,9S,10S,13S,15R)-13,15-dihydroxy-7-[(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-3-(3-methylbutanoylamino)-4-(3-phenylpropanoyloxy)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-9-methyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5,5-dicarboxylic acid.
Chemical Property Profile of O-Rhamnosyl-(1''-4')wedeloside
Property Insights of O-Rhamnosyl-(1''-4')wedeloside
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for O-Rhamnosyl-(1''-4')wedeloside. The TPSA of 288.0 Ų indicates high polarity, suggesting O-Rhamnosyl-(1''-4')wedeloside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, O-Rhamnosyl-(1''-4')wedeloside has 9 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of O-Rhamnosyl-(1''-4')wedeloside?
The CAS number of O-Rhamnosyl-(1''-4')wedeloside is 74686-31-0.
What is the molecular formula of O-Rhamnosyl-(1''-4')wedeloside?
The molecular formula of O-Rhamnosyl-(1''-4')wedeloside is C46H65NO17.
What is the molecular weight of O-Rhamnosyl-(1''-4')wedeloside?
The molecular weight of O-Rhamnosyl-(1''-4')wedeloside is 903.43 g/mol.
Where can I buy O-Rhamnosyl-(1''-4')wedeloside?
You can request a quote for O-Rhamnosyl-(1''-4')wedeloside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-Rhamnosyl-(1''-4')wedeloside?
Yes, KEHONG BIO provides custom synthesis services for O-Rhamnosyl-(1''-4')wedeloside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.