Glucodigifucoside
TL;DR: Glucodigifucoside (CAS 28360-79-4) is a chemical compound with molecular formula C35H54O13 and molecular weight 682.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-[(3S,4S,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
Also Known As: Glucodigifucoside, methyl benzohydroxamate, KST-1A3449, 3-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-[(3S,4S,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one, B0005-053625
| Molecular Formula | C35H54O13 |
|---|---|
| Molecular Weight | 682.36 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 205.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 6 |
| Exact Mass | 682.35645 |
| Heavy Atoms | 48 |
| Complexity | 1250.0 |
Chemical Identifiers
| CAS Number | 28360-79-4 |
|---|---|
| SMILES | C[C@H]1C([C@H]([C@@H](C(O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)C)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O |
| InChIKey | OQZGLOBKVNEEPK-HYYJYYHTSA-N |
Product Overview
Glucodigifucoside (CAS 28360-79-4), with molecular formula C35H54O13 and molecular weight 682.36 g/mol. IUPAC: 3-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-[(3S,4S,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one.
Chemical Property Profile of Glucodigifucoside
Property Insights of Glucodigifucoside
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Glucodigifucoside. The TPSA of 205.0 Ų indicates high polarity, suggesting Glucodigifucoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Glucodigifucoside has 7 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Glucodigifucoside?
The CAS number of Glucodigifucoside is 28360-79-4.
What is the molecular formula of Glucodigifucoside?
The molecular formula of Glucodigifucoside is C35H54O13.
What is the molecular weight of Glucodigifucoside?
The molecular weight of Glucodigifucoside is 682.36 g/mol.
Where can I buy Glucodigifucoside?
You can request a quote for Glucodigifucoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Glucodigifucoside?
Yes, KEHONG BIO provides custom synthesis services for Glucodigifucoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.