Thelenotoside B
TL;DR: Thelenotoside B (CAS 72175-95-2) is a chemical compound with molecular formula C55H88O23 and molecular weight 1116.57 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-[16-[3-[5-[4-[3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-2,6,13,17,17-pentamethyl-8-oxo-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icos-1(20)-en-6-yl]-4-methylpentan-2-yl] acetate
Also Known As: Thelenotoside B, [1-[16-[3-[5-[4-[3,5-Dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-2,6,13,17,17-pentamethyl-8-oxo-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icos-1(20)-en-6-yl]-4-methylpentan-2-yl] acetate, Protohemin mono-3-(imidazol-1-yl)propylamide monomethyl ester, Lanost-7-en-18-oic acid, 23-(acetyloxy)-20-hydroxy-3-((O-3-O-methyl-beta-D-glucopyranosyl-(1-3)-O-beta-D-xylopyranosyl-(1-4)-O-beta-D-glucopyranosyl-(1-2)-beta-D-xylopyranosyl)oxy)-, gamma-lactone, (3beta,23S)-
| Molecular Formula | C55H88O23 |
|---|---|
| Molecular Weight | 1116.57 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 338.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 23 |
| Rotatable Bonds | 17 |
| Exact Mass | 1116.5717 |
| Heavy Atoms | 78 |
| Complexity | 2150.0 |
Chemical Identifiers
| CAS Number | 72175-95-2 |
|---|---|
| SMILES | CC(C)CC(CC1(C2CCC3(C2(CCC4C3=CCC5C4(CCC(C5(C)C)OC6C(C(C(CO6)O)O)OC7C(C(C(C(O7)CO)OC8C(C(C(CO8)O)OC9C(C(C(C(O9)CO)O)OC)O)O)O)O)C)C(=O)O1)C)C)OC(=O)C |
| InChIKey | RBADDKIIVLROHL-UHFFFAOYSA-N |
Product Overview
Thelenotoside B (CAS 72175-95-2), with molecular formula C55H88O23 and molecular weight 1116.57 g/mol. IUPAC: [1-[16-[3-[5-[4-[3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-2,6,13,17,17-pentamethyl-8-oxo-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icos-1(20)-en-6-yl]-4-methylpentan-2-yl] acetate.
Chemical Property Profile of Thelenotoside B
Property Insights of Thelenotoside B
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thelenotoside B. The TPSA of 338.0 Ų indicates high polarity, suggesting Thelenotoside B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Thelenotoside B has 10 hydrogen bond donor(s) and 23 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Thelenotoside B?
The CAS number of Thelenotoside B is 72175-95-2.
What is the molecular formula of Thelenotoside B?
The molecular formula of Thelenotoside B is C55H88O23.
What is the molecular weight of Thelenotoside B?
The molecular weight of Thelenotoside B is 1116.57 g/mol.
Where can I buy Thelenotoside B?
You can request a quote for Thelenotoside B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thelenotoside B?
Yes, KEHONG BIO provides custom synthesis services for Thelenotoside B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.