Yiyeliangwanoside II
TL;DR: Yiyeliangwanoside II (CAS 135248-38-3) is a chemical compound with molecular formula C37H56O10 and molecular weight 660.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4aR,6aR,6aS,6bR,10S,12aR,14bR)-10-[(2S,3R,4S,5S)-4-acetyloxy-3,5-dihydroxyoxan-2-yl]oxy-2,6a,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2,4a-dicarboxylic acid
Also Known As: Yiyeliangwanoside II, (4aR,6aR,6aS,6bR,10S,12aR,14bR)-10-[(2S,3R,4S,5S)-4-acetyloxy-3,5-dihydroxyoxan-2-yl]oxy-2,6a,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2,4a-dicarboxylic acid, 3-[(3-O-Acetylpentopyranosyl)oxy]olean-12-ene-28,29-dioic acid, Olean-12-ene-28,29-dioic acid, 3-((3-O-acetyl-alpha-L-arabinopyranosyl)oxy)-, (3beta,20alpha)-, (3EC,5o(3/4),18I<<)-3-[(3-O-Acetyl-I<<-L-arabinopyranosyl)oxy]olean-12-ene- 28,29-dioic acid
| Molecular Formula | C37H56O10 |
|---|---|
| Molecular Weight | 660.39 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 160.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 660.3873 |
| Heavy Atoms | 47 |
| Complexity | 1340.0 |
Chemical Identifiers
| CAS Number | 135248-38-3 |
|---|---|
| SMILES | CC(=O)O[C@H]1[C@H](CO[C@H]([C@@H]1O)O[C@H]2CC[C@@]3([C@H]4CC=C5[C@H]6CC(CC[C@@]6(CC[C@]5([C@@]4(CCC3C2(C)C)C)C)C(=O)O)(C)C(=O)O)C)O |
| InChIKey | FGXBTQAHODSGKN-ZBQCWLKPSA-N |
Product Overview
Yiyeliangwanoside II (CAS 135248-38-3), with molecular formula C37H56O10 and molecular weight 660.39 g/mol. IUPAC: (4aR,6aR,6aS,6bR,10S,12aR,14bR)-10-[(2S,3R,4S,5S)-4-acetyloxy-3,5-dihydroxyoxan-2-yl]oxy-2,6a,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2,4a-dicarboxylic acid.
Chemical Property Profile of Yiyeliangwanoside II
Property Insights of Yiyeliangwanoside II
The XLogP value of 4.9 indicates that Yiyeliangwanoside II is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 160.0 Ų indicates high polarity, suggesting Yiyeliangwanoside II may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Yiyeliangwanoside II has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Yiyeliangwanoside II?
The CAS number of Yiyeliangwanoside II is 135248-38-3.
What is the molecular formula of Yiyeliangwanoside II?
The molecular formula of Yiyeliangwanoside II is C37H56O10.
What is the molecular weight of Yiyeliangwanoside II?
The molecular weight of Yiyeliangwanoside II is 660.39 g/mol.
Where can I buy Yiyeliangwanoside II?
You can request a quote for Yiyeliangwanoside II directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Yiyeliangwanoside II?
Yes, KEHONG BIO provides custom synthesis services for Yiyeliangwanoside II and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.