Diginatigenin-3-O-beta-D-digitaloside
TL;DR: Diginatigenin-3-O-beta-D-digitaloside (CAS 88660-35-9) is a chemical compound with molecular formula C30H46O10 and molecular weight 566.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-12,14,16-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
Also Known As: Diginatigenin-3-O-beta-D-digitaloside, 4-[3-(3,5-dihydroxy-4-methoxy-6-methyl-oxan-2-yl)oxy-12,14,16-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-5H-furan-2-one, 3-[3-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-12,14,16-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one, L-Tyrosine, 3-hydroxy-N-[2-(mercaptomethyl)-1-oxo-3-phenylpropyl]-, 3-[(6-Deoxy-3-O-methylhexopyranosyl)oxy]-12,14,16-trihydroxycard-20(22)-enolide
| Molecular Formula | C30H46O10 |
|---|---|
| Molecular Weight | 566.31 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 155.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 566.3091 |
| Heavy Atoms | 40 |
| Complexity | 1030.0 |
Chemical Identifiers
| CAS Number | 88660-35-9 |
|---|---|
| SMILES | CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3CC(C5(C4(CC(C5C6=CC(=O)OC6)O)O)C)O)C)O)OC)O |
| InChIKey | FAAUXNJCOFXHBZ-UHFFFAOYSA-N |
Product Overview
Diginatigenin-3-O-beta-D-digitaloside (CAS 88660-35-9), with molecular formula C30H46O10 and molecular weight 566.31 g/mol. IUPAC: 3-[3-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-12,14,16-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one.
Chemical Property Profile of Diginatigenin-3-O-beta-D-digitaloside
Property Insights of Diginatigenin-3-O-beta-D-digitaloside
The XLogP value of -0.3 indicates that Diginatigenin-3-O-beta-D-digitaloside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 155.0 Ų indicates high polarity, suggesting Diginatigenin-3-O-beta-D-digitaloside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Diginatigenin-3-O-beta-D-digitaloside has 5 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Diginatigenin-3-O-beta-D-digitaloside?
The CAS number of Diginatigenin-3-O-beta-D-digitaloside is 88660-35-9.
What is the molecular formula of Diginatigenin-3-O-beta-D-digitaloside?
The molecular formula of Diginatigenin-3-O-beta-D-digitaloside is C30H46O10.
What is the molecular weight of Diginatigenin-3-O-beta-D-digitaloside?
The molecular weight of Diginatigenin-3-O-beta-D-digitaloside is 566.31 g/mol.
Where can I buy Diginatigenin-3-O-beta-D-digitaloside?
You can request a quote for Diginatigenin-3-O-beta-D-digitaloside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diginatigenin-3-O-beta-D-digitaloside?
Yes, KEHONG BIO provides custom synthesis services for Diginatigenin-3-O-beta-D-digitaloside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.