Convallamaroside
TL;DR: Convallamaroside (CAS 52591-05-6) is a chemical compound with molecular formula C57H94O27 and molecular weight 1210.60 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,4S,5S,6R)-2-[[(1S,2S,4S,6R,7S,8R,9S,12S,13S,14R,16R,18R)-16-[(2R,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-hydroxy-7,9,13-trimethyl-6-[3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]but-3-enyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-14-yl]oxy]-4,5-dihydroxy-6-methyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol
Also Known As: Convallamaroside, (2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-2-[[(1S,2S,4S,6R,7S,8R,9S,12S,13S,14R,16R,18R)-16-[(2R,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-hydroxy-7,9,13-trimethyl-6-[3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]but-3-enyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-14-yl]oxy]-4,5-dihydroxy-6-methyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol, (22R)-3beta-[(6-Deoxy-4-O-beta-D-glucopyranosyl-alpha-L-mannopyranosyl)oxy]-26-(beta-D-glucopyranosyloxy)-22-hydroxy-5beta-furost-25(27)-en-1beta-yl 6-deoxy-2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside
| Molecular Formula | C57H94O27 |
|---|---|
| Molecular Weight | 1210.60 g/mol |
| LogP | -1.9 |
| Topological Polar Surface Area | 425.0 Ų |
| Hydrogen Bond Donors | 16 |
| Hydrogen Bond Acceptors | 27 |
| Rotatable Bonds | 16 |
| Exact Mass | 1210.5983 |
| Heavy Atoms | 84 |
| Complexity | 2220.0 |
Chemical Identifiers
| CAS Number | 52591-05-6 |
|---|---|
| SMILES | C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC[C@H]5[C@@]4([C@@H](C[C@@H](C5)O[C@H]6[C@@H]([C@@H]([C@H]([C@@H](O6)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)C)O)O)O[C@H]9[C@@H]([C@@H]([C@H]([C@@H](O9)C)O)O)O)C)C)O[C@@]1(CCC(=C)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O |
| InChIKey | FNDDEEUISKKDMU-VQDATVTDSA-N |
Product Overview
Convallamaroside (CAS 52591-05-6), with molecular formula C57H94O27 and molecular weight 1210.60 g/mol. IUPAC: (2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-2-[[(1S,2S,4S,6R,7S,8R,9S,12S,13S,14R,16R,18R)-16-[(2R,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-hydroxy-7,9,13-trimethyl-6-[3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]but-3-enyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-14-yl]oxy]-4,5-dihydroxy-6-methyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol.
Chemical Property Profile of Convallamaroside
Property Insights of Convallamaroside
The XLogP value of -1.9 indicates that Convallamaroside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 425.0 Ų indicates high polarity, suggesting Convallamaroside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Convallamaroside has 16 hydrogen bond donor(s) and 27 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Convallamaroside?
The CAS number of Convallamaroside is 52591-05-6.
What is the molecular formula of Convallamaroside?
The molecular formula of Convallamaroside is C57H94O27.
What is the molecular weight of Convallamaroside?
The molecular weight of Convallamaroside is 1210.60 g/mol.
Where can I buy Convallamaroside?
You can request a quote for Convallamaroside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Convallamaroside?
Yes, KEHONG BIO provides custom synthesis services for Convallamaroside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.