Clemontanoside B
TL;DR: Clemontanoside B (CAS 129932-83-8) is a chemical compound with molecular formula C54H88O22 and molecular weight 1088.5768 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[4,5-dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl] 2,2,6a,6b,9,9,12a-heptamethyl-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
Also Known As: Clemontanoside B, [4,5-dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl] 2,2,6a,6b,9,9,12a-heptamethyl-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate, Olean-12-en-28-oic acid, 3-(beta-D-glucopyranosyloxy)-, O-6-deoxy-alpha-L-mannopyranosyl-(1-6)-O-(beta-D-glucopyranosyl-(1-2))-beta-D-glucopyranosyl ester, (3beta)-
Technical Specifications
| Molecular Formula | C54H88O22 |
| Molecular Weight | 1088.5768 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 354.0 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 12 |
| Exact Mass | 1088.5768 Da |
| Heavy Atoms | 76 |
| Complexity | 2100.0 |
| SMILES | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC(=O)C34CCC(CC3C5=CCC6C7(CCC(C(C7CCC6(C5(CC4)C)C)(C)C)OC8C(C(C(C(O8)CO)O)O)O)C)(C)C)OC9C(C(C(C(O9)CO)O)O)O)O)O)O)O)O |
| InChIKey | HNMWWBLBQZSWGD-UHFFFAOYSA-N |
Chemical Property Profile of Clemontanoside B
Property Insights of Clemontanoside B
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Clemontanoside B. The TPSA of 354.0 Ų indicates high polarity, suggesting Clemontanoside B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Clemontanoside B has 13 hydrogen bond donor(s) and 22 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Clemontanoside B?
The CAS number of Clemontanoside B is 129932-83-8.
What is the molecular formula of Clemontanoside B?
The molecular formula of Clemontanoside B is C54H88O22.
What is the molecular weight of Clemontanoside B?
The molecular weight of Clemontanoside B is 1088.5768 g/mol.
Where can I buy Clemontanoside B?
You can request a quote for Clemontanoside B directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Clemontanoside B?
Yes, CoreyChem provides custom synthesis services for Clemontanoside B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.