Sieboldianoside B
TL;DR: Sieboldianoside B (CAS 1848-99-3) is a chemical compound with molecular formula C64H104O29 and molecular weight 1336.67 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-3-[(2S,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
Also Known As: Sieboldianoside B, 6-deoxy-, A-l-mannopyranosyl-(1-, [(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-3-[(2S,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate, Olean-12-en-28-oic acid, 3-((O-beta-D-xylopyranosyl-(1-3)-O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-alpha-L-arabinopyranosyl)oxy)-, O-6-deoxy-alpha-L-mannopyranosyl-(1-4)-O-beta-D-glucopyranosyl-(1-6)-beta-D-glucopyran
| Molecular Formula | C64H104O29 |
|---|---|
| Molecular Weight | 1336.67 g/mol |
| LogP | -2.3 |
| Topological Polar Surface Area | 452.0 Ų |
| Hydrogen Bond Donors | 16 |
| Hydrogen Bond Acceptors | 29 |
| Rotatable Bonds | 15 |
| Exact Mass | 1336.6664 |
| Heavy Atoms | 93 |
| Complexity | 2620.0 |
Chemical Identifiers
| CAS Number | 1848-99-3 |
|---|---|
| SMILES | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)OC[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)OC(=O)[C@@]45CC[C@@]6(C(=CC[C@H]7[C@]6(CC[C@@H]8[C@@]7(CC[C@@H](C8(C)C)O[C@H]9[C@@H]([C@H]([C@H](CO9)O)O)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O)O)C)C)[C@@H]4CC(CC5)(C)C)C)O)O)O)CO)O)O)O |
| InChIKey | GROQHEZXWUJYNW-ITUQRZNASA-N |
Product Overview
Sieboldianoside B (CAS 1848-99-3), with molecular formula C64H104O29 and molecular weight 1336.67 g/mol. IUPAC: [(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-3-[(2S,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate.
Chemical Property Profile of Sieboldianoside B
Property Insights of Sieboldianoside B
The XLogP value of -2.3 indicates that Sieboldianoside B is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 452.0 Ų indicates high polarity, suggesting Sieboldianoside B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Sieboldianoside B has 16 hydrogen bond donor(s) and 29 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Sieboldianoside B?
The CAS number of Sieboldianoside B is 1848-99-3.
What is the molecular formula of Sieboldianoside B?
The molecular formula of Sieboldianoside B is C64H104O29.
What is the molecular weight of Sieboldianoside B?
The molecular weight of Sieboldianoside B is 1336.67 g/mol.
Where can I buy Sieboldianoside B?
You can request a quote for Sieboldianoside B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sieboldianoside B?
Yes, KEHONG BIO provides custom synthesis services for Sieboldianoside B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.