Aloe-emodin dianthrone diglucoside
TL;DR: Aloe-emodin dianthrone diglucoside (CAS 6336-03-4) is a chemical compound with molecular formula C42H42O18 and molecular weight 834.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-hydroxy-10-[4-hydroxy-2-(hydroxymethyl)-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracen-9-yl]-3-(hydroxymethyl)-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-10H-anthracen-9-one
Also Known As: EDADG, Aloe-emodin dianthrone diglucoside, Emodin dianthrone diglucoside I, 1-hydroxy-10-[4-hydroxy-2-(hydroxymethyl)-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracen-9-yl]-3-(hydroxymethyl)-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-10H-anthracen-9-one, 5,5'-bis(
| Molecular Formula | C42H42O18 |
|---|---|
| Molecular Weight | 834.24 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 314.0 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 9 |
| Exact Mass | 834.2371 |
| Heavy Atoms | 60 |
| Complexity | 1400.0 |
Chemical Identifiers
| CAS Number | 6336-03-4 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)C4=C(C2C5C6=C(C(=CC=C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C(=O)C8=C5C=C(C=C8O)CO)C=C(C=C4O)CO |
| InChIKey | SRMDEPOHSPJLPJ-ZVZSMHEHSA-N |
Product Overview
Aloe-emodin dianthrone diglucoside (CAS 6336-03-4), with molecular formula C42H42O18 and molecular weight 834.24 g/mol. IUPAC: 1-hydroxy-10-[4-hydroxy-2-(hydroxymethyl)-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracen-9-yl]-3-(hydroxymethyl)-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-10H-anthracen-9-one.
Chemical Property Profile of Aloe-emodin dianthrone diglucoside
Property Insights of Aloe-emodin dianthrone diglucoside
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Aloe-emodin dianthrone diglucoside. The TPSA of 314.0 Ų indicates high polarity, suggesting Aloe-emodin dianthrone diglucoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Aloe-emodin dianthrone diglucoside has 12 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Aloe-emodin dianthrone diglucoside?
The CAS number of Aloe-emodin dianthrone diglucoside is 6336-03-4.
What is the molecular formula of Aloe-emodin dianthrone diglucoside?
The molecular formula of Aloe-emodin dianthrone diglucoside is C42H42O18.
What is the molecular weight of Aloe-emodin dianthrone diglucoside?
The molecular weight of Aloe-emodin dianthrone diglucoside is 834.24 g/mol.
Where can I buy Aloe-emodin dianthrone diglucoside?
You can request a quote for Aloe-emodin dianthrone diglucoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aloe-emodin dianthrone diglucoside?
Yes, KEHONG BIO provides custom synthesis services for Aloe-emodin dianthrone diglucoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.