Hellebrigenin glucoside
TL;DR: Hellebrigenin glucoside (CAS 100991-82-0) is a chemical compound with molecular formula C30H42O11 and molecular weight 578.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,5S,8R,9S,10S,13R,14S,17R)-5,14-dihydroxy-13-methyl-17-(6-oxopyran-3-yl)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
Also Known As: Hellebrigenin glucoside, Hellebrigenin-D-glucose, Hellebrigenin-3-O-?-glucoside, 4-18-00-03182 (Beilstein Handbook Reference), J1.883.451K
| Molecular Formula | C30H42O11 |
|---|---|
| Molecular Weight | 578.27 g/mol |
| LogP | 0.36 |
| Topological Polar Surface Area | 187.12 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 5 |
| Exact Mass | 578.2727 |
| Heavy Atoms | 41 |
| Complexity | 1182.6276 |
Chemical Identifiers
| CAS Number | 100991-82-0 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@]1(CC[C@@H]2C4=COC(=O)C=C4)O)CC[C@]5([C@@]3(CC[C@@H](C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C=O)O |
Product Overview
Hellebrigenin glucoside (CAS 100991-82-0), with molecular formula C30H42O11 and molecular weight 578.27 g/mol. IUPAC: (3S,5S,8R,9S,10S,13R,14S,17R)-5,14-dihydroxy-13-methyl-17-(6-oxopyran-3-yl)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde.
Chemical Property Profile of Hellebrigenin glucoside
Property Insights of Hellebrigenin glucoside
The XLogP value of 0.36 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hellebrigenin glucoside. The TPSA of 187.12 Ų indicates high polarity, suggesting Hellebrigenin glucoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Hellebrigenin glucoside has 6 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Hellebrigenin glucoside?
The CAS number of Hellebrigenin glucoside is 100991-82-0.
What is the molecular formula of Hellebrigenin glucoside?
The molecular formula of Hellebrigenin glucoside is C30H42O11.
What is the molecular weight of Hellebrigenin glucoside?
The molecular weight of Hellebrigenin glucoside is 578.27 g/mol.
Where can I buy Hellebrigenin glucoside?
You can request a quote for Hellebrigenin glucoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hellebrigenin glucoside?
Yes, KEHONG BIO provides custom synthesis services for Hellebrigenin glucoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.