Mubenoside A
TL;DR: Mubenoside A (CAS 135630-75-0) is a chemical compound with molecular formula C45H72O17 and molecular weight 884.48 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-10-[5-hydroxy-6-(hydroxymethyl)-3,4-bis[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-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-4a-carboxylic acid
Also Known As: Mubenoside A, 2-hydroxy-10-[5-hydroxy-6-(hydroxymethyl)-3,4-bis[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-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-4a-carboxylic acid, 2-hydroxy-2,6a,6b,9,9,12a-hexamethyl-10-{[pentopyranosyl-(1-, 2-hydroxy-2,6a,6b,9,9,12a-hexamethyl-10-{[pentopyranosyl-(1->2)-[pentopyranosyl-(1->3)]hexopyranosyl]oxy}-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydropicene-4a(2h)-carboxylic acid, 3,20-Dihydroxy-30-norolean-12-en-28-oic acid 3-O-(beta-xylopyranosyl(1-2)-alpha-arabinopyranosyl(1-3))-beta-glucopyranside
| Molecular Formula | C45H72O17 |
|---|---|
| Molecular Weight | 884.48 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 275.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 8 |
| Exact Mass | 884.4769 |
| Heavy Atoms | 62 |
| Complexity | 1700.0 |
Chemical Identifiers
| CAS Number | 135630-75-0 |
|---|---|
| SMILES | CC1(C2CCC3(C(C2(CCC1OC4C(C(C(C(O4)CO)O)OC5C(C(C(CO5)O)O)O)OC6C(C(C(CO6)O)O)O)C)CC=C7C3(CCC8(C7CC(CC8)(C)O)C(=O)O)C)C)C |
| InChIKey | OYDWTLURLATONI-UHFFFAOYSA-N |
Product Overview
Mubenoside A (CAS 135630-75-0), with molecular formula C45H72O17 and molecular weight 884.48 g/mol. IUPAC: 2-hydroxy-10-[5-hydroxy-6-(hydroxymethyl)-3,4-bis[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-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-4a-carboxylic acid.
Chemical Property Profile of Mubenoside A
Property Insights of Mubenoside A
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Mubenoside A. The TPSA of 275.0 Ų indicates high polarity, suggesting Mubenoside A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Mubenoside A has 10 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 Mubenoside A?
The CAS number of Mubenoside A is 135630-75-0.
What is the molecular formula of Mubenoside A?
The molecular formula of Mubenoside A is C45H72O17.
What is the molecular weight of Mubenoside A?
The molecular weight of Mubenoside A is 884.48 g/mol.
Where can I buy Mubenoside A?
You can request a quote for Mubenoside A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mubenoside A?
Yes, KEHONG BIO provides custom synthesis services for Mubenoside A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.