Elatoside E
TL;DR: Elatoside E (CAS 156980-30-2) is a chemical compound with molecular formula C46H74O16 and molecular weight 882.50 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4aS,6aR,6aS,6bR,10S,12aR,14bR)-10-[(2S,3R,4S,5S)-5-hydroxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Also Known As: Elatoside E, (4aS,6aR,6aS,6bR,10S,12aR,14bR)-10-[(2S,3R,4S,5S)-5-hydroxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid, Olean-12-en-28-oic acid, 3-((o-beta-D-glucopyranosyl-(1-3)-O-(beta-D-xylopyranosyl-(1-2))-alpha-L-arabinopyranosyl)oxy), (3beta)-, Olean-12-en-28-oic acid, 3-((O-beta-D-glucopyranosyl-(1-3)-O-(beta-D-xylopyranosyl-(1-2))-alpha-L-arabinopyranosyl)oxy)-, (3beta)-
| Molecular Formula | C46H74O16 |
|---|---|
| Molecular Weight | 882.50 g/mol |
| LogP | 1.9844 |
| Topological Polar Surface Area | 254.52 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 8 |
| Exact Mass | 882.4977 |
| Heavy Atoms | 62 |
| Complexity | 1688.7301 |
Chemical Identifiers
| CAS Number | 156980-30-2 |
|---|---|
| SMILES | C[C@]12CC[C@@H](C(C1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@@H]4CC(CC5)(C)C)C(=O)O)C)C)(C)C)O[C@H]6[C@@H]([C@H]([C@H](CO6)O)O[C@@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O[C@H]8[C@@H]([C@H]([C@@H](CO8)O)O)O |
Product Overview
Elatoside E (CAS 156980-30-2), with molecular formula C46H74O16 and molecular weight 882.50 g/mol. IUPAC: (4aS,6aR,6aS,6bR,10S,12aR,14bR)-10-[(2S,3R,4S,5S)-5-hydroxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid.
Chemical Property Profile of Elatoside E
Property Insights of Elatoside E
The XLogP value of 1.9844 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Elatoside E. The TPSA of 254.52 Ų indicates high polarity, suggesting Elatoside E may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Elatoside E has 9 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Elatoside E?
The CAS number of Elatoside E is 156980-30-2.
What is the molecular formula of Elatoside E?
The molecular formula of Elatoside E is C46H74O16.
What is the molecular weight of Elatoside E?
The molecular weight of Elatoside E is 882.50 g/mol.
Where can I buy Elatoside E?
You can request a quote for Elatoside E directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Elatoside E?
Yes, KEHONG BIO provides custom synthesis services for Elatoside E and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.