Neohyacinthoside
TL;DR: Neohyacinthoside (CAS 115491-59-3) is a chemical compound with molecular formula C57H93NO25 and molecular weight 1191.60 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R,4R,5R,6S)-2-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-2-[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3,4-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxy-6-(hydroxymethyl)-2-[(1S,2S,10R,14S,15R,16S,17R,20S,23S)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-en-7-yl]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
Also Known As: Neohyacinthoside, Solanidine-3-O-rhamnopyranosyl-(1-2)-(beta-glucopyranosyl-(1-6)-beta-glucopyranosyl-(1-3)-beta-glucopyranosyl-(1-4))-beta-glucopyraneside, beta-D-Glucopyranoside, (3beta)-solanid-5-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-O-(O-beta-D-glucopyranosyl-(1-6)-O-beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-4))-, (2S,3R,4R,5R,6S)-2-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-2-[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3,4-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxy-6-(hydroxymethyl)-2-[(1S,2S,10R,14S,15R,16S,17R,20S,23S)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-en-7-yl]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
| Molecular Formula | C57H93NO25 |
|---|---|
| Molecular Weight | 1191.60 g/mol |
| LogP | -4.6029 |
| Topological Polar Surface Area | 409.99 Ų |
| Hydrogen Bond Donors | 16 |
| Hydrogen Bond Acceptors | 26 |
| Rotatable Bonds | 13 |
| Exact Mass | 1191.6036 |
| Heavy Atoms | 83 |
| Complexity | 2256.5554 |
Chemical Identifiers
| CAS Number | 115491-59-3 |
|---|---|
| SMILES | C[C@H]1CC[C@@H]2[C@H]([C@H]3[C@@H](N2C1)C[C@@H]4[C@@]3(CCC5[C@H]4CC=C6[C@@]5(CCC(C6)[C@]7([C@@H]([C@@H]([C@@H]([C@H](O7)CO)O)O)O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O)O)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C)C)C |
Product Overview
Neohyacinthoside (CAS 115491-59-3), with molecular formula C57H93NO25 and molecular weight 1191.60 g/mol. IUPAC: (2S,3R,4R,5R,6S)-2-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-2-[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3,4-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxy-6-(hydroxymethyl)-2-[(1S,2S,10R,14S,15R,16S,17R,20S,23S)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-en-7-yl]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol.
Chemical Property Profile of Neohyacinthoside
Property Insights of Neohyacinthoside
The XLogP value of -4.6029 indicates that Neohyacinthoside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 409.99 Ų indicates high polarity, suggesting Neohyacinthoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Neohyacinthoside has 16 hydrogen bond donor(s) and 26 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Neohyacinthoside?
The CAS number of Neohyacinthoside is 115491-59-3.
What is the molecular formula of Neohyacinthoside?
The molecular formula of Neohyacinthoside is C57H93NO25.
What is the molecular weight of Neohyacinthoside?
The molecular weight of Neohyacinthoside is 1191.60 g/mol.
Where can I buy Neohyacinthoside?
You can request a quote for Neohyacinthoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Neohyacinthoside?
Yes, KEHONG BIO provides custom synthesis services for Neohyacinthoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.