Urginin
TL;DR: Urginin (CAS 8002-35-5) is a chemical compound with molecular formula C42H62O17 and molecular weight 838.40 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(3S,8R,9S,10R,13R,14S,17R)-14-hydroxy-3-[(2R,3R,4S,5S,6S)-3-hydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one
Also Known As: Urginin, Urginin indica, J1.689.815E, 5-[(3S,8R,9S,10R,13R,14S,17R)-14-hydroxy-3-[(2R,3R,4S,5S,6S)-3-hydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one, 14beta-hydroxybufa-4,20,22-trienolide 3beta-O-(alpha-L-rhamnopyranosyl-((1-4)-beta-D-glucopyranosyl)-(1-3)-alpha-L-rhamnopyranoside)
| Molecular Formula | C42H62O17 |
|---|---|
| Molecular Weight | 838.40 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 264.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 8 |
| Exact Mass | 838.3987 |
| Heavy Atoms | 59 |
| Complexity | 1660.0 |
Chemical Identifiers
| CAS Number | 8002-35-5 |
|---|---|
| SMILES | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2[C@H]([C@@H](O[C@H]([C@@H]2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C)O[C@H]4CC[C@@]5([C@H]6CC[C@@]7([C@H](CC[C@@]7([C@@H]6CCC5=C4)O)C8=COC(=O)C=C8)C)C)O)O)O)O |
| InChIKey | VZARJLMRDRMOAU-FYEZBVCASA-N |
Product Overview
Urginin (CAS 8002-35-5), with molecular formula C42H62O17 and molecular weight 838.40 g/mol. IUPAC: 5-[(3S,8R,9S,10R,13R,14S,17R)-14-hydroxy-3-[(2R,3R,4S,5S,6S)-3-hydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one.
Chemical Property Profile of Urginin
Property Insights of Urginin
The XLogP value of -0.8 indicates that Urginin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 264.0 Ų indicates high polarity, suggesting Urginin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Urginin has 9 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Urginin?
The CAS number of Urginin is 8002-35-5.
What is the molecular formula of Urginin?
The molecular formula of Urginin is C42H62O17.
What is the molecular weight of Urginin?
The molecular weight of Urginin is 838.40 g/mol.
Where can I buy Urginin?
You can request a quote for Urginin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Urginin?
Yes, KEHONG BIO provides custom synthesis services for Urginin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.