yemuoside YM(12)
TL;DR: yemuoside YM(12) (CAS 1471-84-7) is a chemical compound with molecular formula C52H82O21 and molecular weight 1042.53 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3,4,6-trihydroxy-5-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] 10-[4,5-dihydroxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-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 YM(12), Yemuoside YM12, [3,4,6-trihydroxy-5-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] 10-[4,5-dihydroxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-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, 28-O-Glucopyranosyl-(1-6)-glucopyranosyl 3-O-rhamnopyranosyl-(1-2)-arabinopyranosyl-30-norolean-12,20(29)-dien-28-oic acid, 3,4,6-trihydroxy-5-({[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]oxy}methyl)tetrahydro-2h-pyran-2-yl 10-({4,5-dihydroxy-3-[(3,4,5-trihydroxy-6-methyltetrahydro-2h-pyran-2-yl)oxy]tetrahydro-2h-pyran-2-yl}oxy)-6a,6b,9,9,12a-pentamethyl-2-methylidene-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydropicene-4a(2h)-carboxylate(non-preferred name)
| Molecular Formula | C52H82O21 |
|---|---|
| Molecular Weight | 1042.53 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 334.0 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 11 |
| Exact Mass | 1042.5349 |
| Heavy Atoms | 73 |
| Complexity | 2040.0 |
Chemical Identifiers
| CAS Number | 1471-84-7 |
|---|---|
| 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)O)COC9C(C(C(C(O9)CO)O)O)O)O)O)C)C)C)O)O)O)O)O |
| InChIKey | XBURTOCWRDWUSK-UHFFFAOYSA-N |
Product Overview
yemuoside YM(12) (CAS 1471-84-7), with molecular formula C52H82O21 and molecular weight 1042.53 g/mol. IUPAC: [3,4,6-trihydroxy-5-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] 10-[4,5-dihydroxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-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 YM(12)
Property Insights of yemuoside YM(12)
The XLogP value of -0.1 indicates that yemuoside YM(12) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 334.0 Ų indicates high polarity, suggesting yemuoside YM(12) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, yemuoside YM(12) has 12 hydrogen bond donor(s) and 21 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of yemuoside YM(12)?
The CAS number of yemuoside YM(12) is 1471-84-7.
What is the molecular formula of yemuoside YM(12)?
The molecular formula of yemuoside YM(12) is C52H82O21.
What is the molecular weight of yemuoside YM(12)?
The molecular weight of yemuoside YM(12) is 1042.53 g/mol.
Where can I buy yemuoside YM(12)?
You can request a quote for yemuoside YM(12) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for yemuoside YM(12)?
Yes, KEHONG BIO provides custom synthesis services for yemuoside YM(12) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.