Bayogenin 3-O-cellobioside
TL;DR: Bayogenin 3-O-cellobioside (CAS 92622-05-4) is a chemical compound with molecular formula C42H68O15 and molecular weight 812.46 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4aS,6aR,6aS,6bR,8aR,9R,10R,11S,12aR,14bS)-10-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-11-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Also Known As: Bayogenin 3-O-cellobioside, J2.767.402J, (4aS,6aR,6aS,6bR,8aR,9R,10R,11S,12aR,14bS)-10-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-11-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid, 3beta-[O-beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyloxy]-2beta,23-dihydroxyolean-12-en-28-oic acid, (2beta,3beta,4alpha)-3-((4-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyl)oxy)-2,23-dihydroxyolean-12-en-28-oic acid
| Molecular Formula | C42H68O15 |
|---|---|
| Molecular Weight | 812.46 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 256.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 8 |
| Exact Mass | 812.4558 |
| Heavy Atoms | 57 |
| Complexity | 1540.0 |
Chemical Identifiers
| CAS Number | 92622-05-4 |
|---|---|
| SMILES | C[C@@]12CC[C@@H]3[C@@]([C@H]1CC=C4[C@]2(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)(C[C@@H]([C@@H]([C@@]3(C)CO)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O)O)C |
| InChIKey | GQPGGSOQFNPVJI-XXRVHFCASA-N |
Product Overview
Bayogenin 3-O-cellobioside (CAS 92622-05-4), with molecular formula C42H68O15 and molecular weight 812.46 g/mol. IUPAC: (4aS,6aR,6aS,6bR,8aR,9R,10R,11S,12aR,14bS)-10-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-11-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,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 Bayogenin 3-O-cellobioside
Property Insights of Bayogenin 3-O-cellobioside
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bayogenin 3-O-cellobioside. The TPSA of 256.0 Ų indicates high polarity, suggesting Bayogenin 3-O-cellobioside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bayogenin 3-O-cellobioside has 10 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bayogenin 3-O-cellobioside?
The CAS number of Bayogenin 3-O-cellobioside is 92622-05-4.
What is the molecular formula of Bayogenin 3-O-cellobioside?
The molecular formula of Bayogenin 3-O-cellobioside is C42H68O15.
What is the molecular weight of Bayogenin 3-O-cellobioside?
The molecular weight of Bayogenin 3-O-cellobioside is 812.46 g/mol.
Where can I buy Bayogenin 3-O-cellobioside?
You can request a quote for Bayogenin 3-O-cellobioside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bayogenin 3-O-cellobioside?
Yes, KEHONG BIO provides custom synthesis services for Bayogenin 3-O-cellobioside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.