saponin E, hupehensis
TL;DR: saponin E, hupehensis (CAS 184900-70-7) is a chemical compound with molecular formula C70H114O35 and molecular weight 1514.71 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6-[[3,4-dihydroxy-6-(hydroxymethyl)-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] 10-[3-[4-[3,5-dihydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
Also Known As: Saponin E, hupehensis, Hupehensis saponin E, 6-deoxyhexopyranosyl-(1-, [6-[[3,4-dihydroxy-6-(hydroxymethyl)-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] 10-[3-[4-[3,5-dihydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate, (6-((3,4-dihydroxy-6-(hydroxymethyl)-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl)oxymethyl)-3,4,5-trihydroxyoxan-2-yl) 10-(3-(4-(3,5-dihydroxy-4-(3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyoxan-2-yl)oxy-3,5-dihydroxy-6-methyloxan-2-yl)oxy-4,5-dihydroxyoxan-2-yl)oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
| Molecular Formula | C70H114O35 |
|---|---|
| Molecular Weight | 1514.71 g/mol |
| LogP | -5.1 |
| Topological Polar Surface Area | 551.0 Ų |
| Hydrogen Bond Donors | 20 |
| Hydrogen Bond Acceptors | 35 |
| Rotatable Bonds | 19 |
| Exact Mass | 1514.7141 |
| Heavy Atoms | 105 |
| Complexity | 2980.0 |
Chemical Identifiers
| CAS Number | 184900-70-7 |
|---|---|
| SMILES | CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OCC3C(C(C(C(O3)OC(=O)C45CCC(CC4C6=CCC7C8(CCC(C(C8CCC7(C6(CC5)C)C)(C)CO)OC9C(C(C(CO9)O)O)OC1C(C(C(C(O1)C)O)OC1C(C(C(CO1)O)OC1C(C(C(C(O1)CO)O)O)O)O)O)C)(C)C)O)O)O)CO)O)O)O |
| InChIKey | DNDOZBDUEDTZGE-UHFFFAOYSA-N |
Product Overview
saponin E, hupehensis (CAS 184900-70-7), with molecular formula C70H114O35 and molecular weight 1514.71 g/mol. IUPAC: [6-[[3,4-dihydroxy-6-(hydroxymethyl)-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] 10-[3-[4-[3,5-dihydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate.
Chemical Property Profile of saponin E, hupehensis
Property Insights of saponin E, hupehensis
The XLogP value of -5.1 indicates that saponin E, hupehensis is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 551.0 Ų indicates high polarity, suggesting saponin E, hupehensis may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, saponin E, hupehensis has 20 hydrogen bond donor(s) and 35 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of saponin E, hupehensis?
The CAS number of saponin E, hupehensis is 184900-70-7.
What is the molecular formula of saponin E, hupehensis?
The molecular formula of saponin E, hupehensis is C70H114O35.
What is the molecular weight of saponin E, hupehensis?
The molecular weight of saponin E, hupehensis is 1514.71 g/mol.
Where can I buy saponin E, hupehensis?
You can request a quote for saponin E, hupehensis directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for saponin E, hupehensis?
Yes, KEHONG BIO provides custom synthesis services for saponin E, hupehensis and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.