Pulverulentoside I
TL;DR: Pulverulentoside I (CAS 125353-53-9) is a chemical compound with molecular formula C33H42O17 and molecular weight 710.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-acetyloxy-5-hydroxy-2-[[2-(hydroxymethyl)-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl]oxy]-6-methyloxan-3-yl] 3-(4-methoxyphenyl)prop-2-enoate
Also Known As: Pulverulentoside I, 2-(Hexopyranosyloxy)-1a-(hydroxymethyl)-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-6-yl 3-O-acetyl-6-deoxy-2-O-[3-(4-methoxyphenyl)prop-2-enoyl]hexopyranoside, beta-D-Glucopyranoside, (1aS,1bS,2S,5aR,6S,6aS)-6-[[3-O-acetyl-6-deoxy-2-O-[(2E)-3-(4-methoxyphenyl)-1-oxo-2-propen-1-yl]-alpha-L-mannopyranosyl]oxy]-1a,1b,2,5a,6,6a-hexahydro-1a-(hydroxymethyl)oxireno[4,5]cyclopenta[1,2-c]pyran-2-yl
| Molecular Formula | C33H42O17 |
|---|---|
| Molecular Weight | 710.24 g/mol |
| LogP | -1.1 |
| Topological Polar Surface Area | 242.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 13 |
| Exact Mass | 710.2422 |
| Heavy Atoms | 50 |
| Complexity | 1250.0 |
Chemical Identifiers
| CAS Number | 125353-53-9 |
|---|---|
| SMILES | CC1C(C(C(C(O1)OC2C3C=COC(C3C4(C2O4)CO)OC5C(C(C(C(O5)CO)O)O)O)OC(=O)C=CC6=CC=C(C=C6)OC)OC(=O)C)O |
| InChIKey | AUVKOEQGZIDTGI-UHFFFAOYSA-N |
Product Overview
Pulverulentoside I (CAS 125353-53-9), with molecular formula C33H42O17 and molecular weight 710.24 g/mol. IUPAC: [4-acetyloxy-5-hydroxy-2-[[2-(hydroxymethyl)-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl]oxy]-6-methyloxan-3-yl] 3-(4-methoxyphenyl)prop-2-enoate.
Chemical Property Profile of Pulverulentoside I
Property Insights of Pulverulentoside I
The XLogP value of -1.1 indicates that Pulverulentoside I is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 242.0 Ų indicates high polarity, suggesting Pulverulentoside I may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pulverulentoside I has 6 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pulverulentoside I?
The CAS number of Pulverulentoside I is 125353-53-9.
What is the molecular formula of Pulverulentoside I?
The molecular formula of Pulverulentoside I is C33H42O17.
What is the molecular weight of Pulverulentoside I?
The molecular weight of Pulverulentoside I is 710.24 g/mol.
Where can I buy Pulverulentoside I?
You can request a quote for Pulverulentoside I directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pulverulentoside I?
Yes, KEHONG BIO provides custom synthesis services for Pulverulentoside I and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.