Basrgg
TL;DR: Basrgg (CAS 137553-03-8) is a chemical compound with molecular formula C48H78O20S and molecular weight 1006.48 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Basrgg
[(2R,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl] (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-9-sulfooxy-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylate
Also Known As: Basrgg, 3-Betulinic acid 3-O-sulfate 28-O-(rhamnopyranosyl(1-4)-O-glucopyranosyl(1-6))-glucopyranoside, [(2R,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl] (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-9-sulfooxy-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylate
| Molecular Formula | C48H78O20S |
|---|---|
| Molecular Weight | 1006.48 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 327.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 12 |
| Exact Mass | 1006.4807 |
| Heavy Atoms | 69 |
| Complexity | 2000.0 |
Chemical Identifiers
| CAS Number | 137553-03-8 |
|---|---|
| SMILES | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2[C@@H]([C@H](O[C@@H]([C@@H]2O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)OC(=O)[C@]45CC[C@H]([C@@H]4[C@H]6CC[C@@H]7[C@]8(CC[C@@H](C([C@@H]8CC[C@]7([C@@]6(CC5)C)C)(C)C)OS(=O)(=O)O)C)C(=C)C)CO)O)O)O)O |
| InChIKey | LLDIGFBNDXWNGP-BLWWJGNOSA-N |
Product Overview
Basrgg (CAS 137553-03-8), with molecular formula C48H78O20S and molecular weight 1006.48 g/mol. IUPAC: [(2R,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl] (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-9-sulfooxy-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylate.
Chemical Property Profile of Basrgg
Property Insights of Basrgg
The XLogP value of 3.3 indicates that Basrgg is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 327.0 Ų indicates high polarity, suggesting Basrgg may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Basrgg has 10 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Basrgg?
The CAS number of Basrgg is 137553-03-8.
What is the molecular formula of Basrgg?
The molecular formula of Basrgg is C48H78O20S.
What is the molecular weight of Basrgg?
The molecular weight of Basrgg is 1006.48 g/mol.
Where can I buy Basrgg?
You can request a quote for Basrgg directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Basrgg?
Yes, KEHONG BIO provides custom synthesis services for Basrgg and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.