原薯蓣皂苷
TL;DR: 原薯蓣皂苷 (CAS 90288-44-1) is a chemical compound with molecular formula C51H84O22 and molecular weight 1048.55 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
原薯蓣皂苷
(2S,3R,4R,5R,6S)-2-[(2R,3S,4S,5R,6R)-4-hydroxy-2-(hydroxymethyl)-6-[[(1S,2S,4S,6R,7S,8R,9S,12S,13R,16S)-6-hydroxy-7,9,13-trimethyl-6-[(3R)-3-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-16-yl]oxy]-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
Also Known As: Protodioscin, Furostanol I, Protodioscin?, proto-dioscin, Saponin C
| Molecular Formula | C51H84O22 |
|---|---|
| Molecular Weight | 1048.55 g/mol |
| LogP | -1.3 |
| Topological Polar Surface Area | 346.0 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 14 |
| Exact Mass | 1048.5454 |
| Heavy Atoms | 73 |
| Complexity | 1900.0 |
Chemical Identifiers
| CAS Number | 90288-44-1 |
|---|---|
| SMILES | C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O[C@H]7[C@@H]([C@@H]([C@H]([C@@H](O7)C)O)O)O)O)O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O)O)O)C)C)O[C@@]1(CC[C@@H](C)CO[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O |
| InChIKey | LVTJOONKWUXEFR-UEZXSUPNSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
原薯蓣皂苷 (CAS 90288-44-1), with molecular formula C51H84O22 and molecular weight 1048.55 g/mol. IUPAC: (2S,3R,4R,5R,6S)-2-[(2R,3S,4S,5R,6R)-4-hydroxy-2-(hydroxymethyl)-6-[[(1S,2S,4S,6R,7S,8R,9S,12S,13R,16S)-6-hydroxy-7,9,13-trimethyl-6-[(3R)-3-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-16-yl]oxy]-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol.
Chemical Property Profile of 原薯蓣皂苷
Property Insights of 原薯蓣皂苷
The XLogP value of -1.3 indicates that 原薯蓣皂苷 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 346.0 Ų indicates high polarity, suggesting 原薯蓣皂苷 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 原薯蓣皂苷 has 13 hydrogen bond donor(s) and 22 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 原薯蓣皂苷?
The CAS number of 原薯蓣皂苷 is 90288-44-1.
What is the molecular formula of 原薯蓣皂苷?
The molecular formula of 原薯蓣皂苷 is C51H84O22.
What is the molecular weight of 原薯蓣皂苷?
The molecular weight of 原薯蓣皂苷 is 1048.55 g/mol.
Where can I buy 原薯蓣皂苷?
You can request a quote for 原薯蓣皂苷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 原薯蓣皂苷?
Yes, KEHONG BIO provides custom synthesis services for 原薯蓣皂苷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.