Adonitoxigenin-3-O-alpha-L-rhamnosido-beta-D-xyloside
TL;DR: Adonitoxigenin-3-O-alpha-L-rhamnosido-beta-D-xyloside (CAS 99520-71-5) is a chemical compound with molecular formula C34H50O14 and molecular weight 682.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,5R,8R,9S,10R,13R,14S,17R)-3-[(3S,4S,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-14,16-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
Also Known As: Adonitoxigenin-3-O-alpha-L-rhamnosido-beta-D-xyloside, 3-[(6-Deoxy-4-O-pentopyranosylhexopyranosyl)oxy]-14,16-dihydroxy-19-oxocard-20(22)-enolide, (3S,5R,8R,9S,10R,13R,14S,17R)-3-[(3S,4S,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-14,16-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde, 3beta-{[(4xi)-6-Deoxy-4-O-beta-D-xylopyranosyl-L-xylo-hexopyranosyl]oxy}-14,16-dihydroxy-19-oxo-5beta-card-20(22)-enolide, Card-20(22)-enolide, 3-((6-deoxy-4-O-beta-D-xylopyranosyl-alpha-L-mannopyranosyl)oxy)-14,16-dihydroxy-19-oxo-, (3beta,5beta,16beta)-
| Molecular Formula | C34H50O14 |
|---|---|
| Molecular Weight | 682.32 g/mol |
| LogP | -2.1 |
| Topological Polar Surface Area | 222.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 6 |
| Exact Mass | 682.32007 |
| Heavy Atoms | 48 |
| Complexity | 1280.0 |
Chemical Identifiers
| CAS Number | 99520-71-5 |
|---|---|
| SMILES | C[C@H]1C([C@H]([C@@H](C(O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@@]4(CC([C@@H]5C6=CC(=O)OC6)O)O)C)C=O)O)O)O[C@H]7[C@@H]([C@H]([C@@H](CO7)O)O)O |
| InChIKey | IFSDGXNUNOPLOD-YKTHIYPLSA-N |
Product Overview
Adonitoxigenin-3-O-alpha-L-rhamnosido-beta-D-xyloside (CAS 99520-71-5), with molecular formula C34H50O14 and molecular weight 682.32 g/mol. IUPAC: (3S,5R,8R,9S,10R,13R,14S,17R)-3-[(3S,4S,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-14,16-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde.
Chemical Property Profile of Adonitoxigenin-3-O-alpha-L-rhamnosido-beta-D-xyloside
Property Insights of Adonitoxigenin-3-O-alpha-L-rhamnosido-beta-D-xyloside
The XLogP value of -2.1 indicates that Adonitoxigenin-3-O-alpha-L-rhamnosido-beta-D-xyloside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 222.0 Ų indicates high polarity, suggesting Adonitoxigenin-3-O-alpha-L-rhamnosido-beta-D-xyloside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Adonitoxigenin-3-O-alpha-L-rhamnosido-beta-D-xyloside has 7 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Adonitoxigenin-3-O-alpha-L-rhamnosido-beta-D-xyloside?
The CAS number of Adonitoxigenin-3-O-alpha-L-rhamnosido-beta-D-xyloside is 99520-71-5.
What is the molecular formula of Adonitoxigenin-3-O-alpha-L-rhamnosido-beta-D-xyloside?
The molecular formula of Adonitoxigenin-3-O-alpha-L-rhamnosido-beta-D-xyloside is C34H50O14.
What is the molecular weight of Adonitoxigenin-3-O-alpha-L-rhamnosido-beta-D-xyloside?
The molecular weight of Adonitoxigenin-3-O-alpha-L-rhamnosido-beta-D-xyloside is 682.32 g/mol.
Where can I buy Adonitoxigenin-3-O-alpha-L-rhamnosido-beta-D-xyloside?
You can request a quote for Adonitoxigenin-3-O-alpha-L-rhamnosido-beta-D-xyloside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Adonitoxigenin-3-O-alpha-L-rhamnosido-beta-D-xyloside?
Yes, KEHONG BIO provides custom synthesis services for Adonitoxigenin-3-O-alpha-L-rhamnosido-beta-D-xyloside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.