Gypsogenin 3-O-rhamnosylglucuronide
TL;DR: Gypsogenin 3-O-rhamnosylglucuronide (CAS 110064-53-4) is a chemical compound with molecular formula C42H64O14 and molecular weight 792.43 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-carboxy-4-formyl-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,5-dihydroxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxane-2-carboxylic acid
Also Known As: Gypsogenin 3-O-rhamnosylglucuronide, gypsogenin 3-O-rhamnosylglucuronoside, gypsogenin 3-O-rhamnosylglucosiduronic acid, J2.767.482H, (2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-carboxy-4-formyl-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,5-dihydroxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxane-2-carboxylic acid
| Molecular Formula | C42H64O14 |
|---|---|
| Molecular Weight | 792.43 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 230.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 7 |
| Exact Mass | 792.4296 |
| Heavy Atoms | 56 |
| Complexity | 1600.0 |
Chemical Identifiers
| CAS Number | 110064-53-4 |
|---|---|
| SMILES | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2[C@@H]([C@H](O[C@H]([C@@H]2O)O[C@H]3CC[C@]4([C@H]([C@]3(C)C=O)CC[C@@]5([C@@H]4CC=C6[C@]5(CC[C@@]7([C@H]6CC(CC7)(C)C)C(=O)O)C)C)C)C(=O)O)O)O)O)O |
| InChIKey | OLFGQBKWRYLUAQ-KHXUXTKLSA-N |
Product Overview
Gypsogenin 3-O-rhamnosylglucuronide (CAS 110064-53-4), with molecular formula C42H64O14 and molecular weight 792.43 g/mol. IUPAC: (2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-carboxy-4-formyl-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,5-dihydroxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxane-2-carboxylic acid.
Chemical Property Profile of Gypsogenin 3-O-rhamnosylglucuronide
Property Insights of Gypsogenin 3-O-rhamnosylglucuronide
The XLogP value of 3.7 indicates that Gypsogenin 3-O-rhamnosylglucuronide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 230.0 Ų indicates high polarity, suggesting Gypsogenin 3-O-rhamnosylglucuronide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Gypsogenin 3-O-rhamnosylglucuronide has 7 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 Gypsogenin 3-O-rhamnosylglucuronide?
The CAS number of Gypsogenin 3-O-rhamnosylglucuronide is 110064-53-4.
What is the molecular formula of Gypsogenin 3-O-rhamnosylglucuronide?
The molecular formula of Gypsogenin 3-O-rhamnosylglucuronide is C42H64O14.
What is the molecular weight of Gypsogenin 3-O-rhamnosylglucuronide?
The molecular weight of Gypsogenin 3-O-rhamnosylglucuronide is 792.43 g/mol.
Where can I buy Gypsogenin 3-O-rhamnosylglucuronide?
You can request a quote for Gypsogenin 3-O-rhamnosylglucuronide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Gypsogenin 3-O-rhamnosylglucuronide?
Yes, KEHONG BIO provides custom synthesis services for Gypsogenin 3-O-rhamnosylglucuronide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.