Yemuoside I
TL;DR: Yemuoside I (CAS 15972-01-7) is a chemical compound with molecular formula C57H90O25 and molecular weight 1174.58 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] 10-[3-[3,5-dihydroxy-6-methyl-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-6a,6b,9,9,12a-pentamethyl-2-methylidene-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
Also Known As: Yemuoside I, [3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] 10-[3-[3,5-dihydroxy-6-methyl-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-6a,6b,9,9,12a-pentamethyl-2-methylidene-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate, 3-O-(alpha-L-Arabinopyranosyl-(1-3)-alpha-L-rhamnopyranosyl-(1-2)-alpha-L-arabinopyranosyl)-30-noroleana-12,20(29)-dien-28-oic acid 28-O-(beta-D-glucopyranosyl-(1-6)-beta-D-glucopyranosyl) ester, 6-o-hexopyranosyl-1-o-{[6a,6b,9,9,12a-pentamethyl-2-methylidene-10-{[pentopyranosyl-(1-, (3,4,5-trihydroxy-6-((3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxymethyl)oxan-2-yl) 10-(3-(3,5-dihydroxy-6-methyl-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl)oxy-4,5-dihydroxyoxan-2-yl)oxy-6a,6b,9,9,12a-pentamethyl-2-methylidene-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
| Molecular Formula | C57H90O25 |
|---|---|
| Molecular Weight | 1174.58 g/mol |
| LogP | -1.9 |
| Topological Polar Surface Area | 393.0 Ų |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 25 |
| Rotatable Bonds | 13 |
| Exact Mass | 1174.5771 |
| Heavy Atoms | 82 |
| Complexity | 2310.0 |
Chemical Identifiers
| CAS Number | 15972-01-7 |
|---|---|
| SMILES | CC1C(C(C(C(O1)OC2C(C(COC2OC3CCC4(C(C3(C)C)CCC5(C4CC=C6C5(CCC7(C6CC(=C)CC7)C(=O)OC8C(C(C(C(O8)COC9C(C(C(C(O9)CO)O)O)O)O)O)O)C)C)C)O)O)O)OC1C(C(C(CO1)O)O)O)O |
| InChIKey | CWYDMOYGICDOJV-UHFFFAOYSA-N |
Product Overview
Yemuoside I (CAS 15972-01-7), with molecular formula C57H90O25 and molecular weight 1174.58 g/mol. IUPAC: [3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] 10-[3-[3,5-dihydroxy-6-methyl-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-6a,6b,9,9,12a-pentamethyl-2-methylidene-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate.
Chemical Property Profile of Yemuoside I
Property Insights of Yemuoside I
The XLogP value of -1.9 indicates that Yemuoside I is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 393.0 Ų indicates high polarity, suggesting Yemuoside I may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Yemuoside I has 14 hydrogen bond donor(s) and 25 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Yemuoside I?
The CAS number of Yemuoside I is 15972-01-7.
What is the molecular formula of Yemuoside I?
The molecular formula of Yemuoside I is C57H90O25.
What is the molecular weight of Yemuoside I?
The molecular weight of Yemuoside I is 1174.58 g/mol.
Where can I buy Yemuoside I?
You can request a quote for Yemuoside I directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Yemuoside I?
Yes, KEHONG BIO provides custom synthesis services for Yemuoside I and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.