dipsacus saponin B
TL;DR: dipsacus saponin B (CAS 152406-42-3) is a chemical compound with molecular formula C59H96O26 and molecular weight 1220.619 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4aS,6aR,6aS,6bR,10S,12aR,14bR)-10-[(2S,3R,4S,5S)-3-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-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: Dipsacus saponin B, (4aS,6aR,6aS,6bR,10S,12aR,14bR)-10-[(2S,3R,4S,5S)-3-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-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, Hederagenin-3-O-glucopyranosyl-1-4-(rhamnopyranosyl-1-6)-glucopyranosyl-1-3-rhamnopyranosyl-1-2-arabinopyranoside, (3beta,4alpha)-3-((O-6-Deoxy-alpha-L-mannopyranosyl-(1-6)-O-(beta-D-glucopyranosyl-(1-4))-O-beta-D-glucopyranosyl-(1-3)-O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-alpha-L-arabinopyranosyl)oxy)-23-hydroxyolean-12-en-28-oic acid, 3-((O-6-Deoxy-alpha-L-mannopyranosyl-(1-6)-O-(beta-D-glucopyranosyl-(1-4))-O-beta-D-glucopyranosyl-(1-3)-O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-alpha-L-arabinopyranosyl)oxy)-23-hydroxyolean-12-en-28-oic acid (3beta,4alpha)-
Technical Specifications
| Molecular Formula | C59H96O26 |
| Molecular Weight | 1220.619 g/mol |
| XLogP | -0.6 |
| Topological Polar Surface Area (TPSA) | 413.0 Ų |
| Hydrogen Bond Donors | 15 |
| Hydrogen Bond Acceptors | 26 |
| Rotatable Bonds | 14 |
| Exact Mass | 1220.619 Da |
| Heavy Atoms | 85 |
| Complexity | 2370.0 |
| SMILES | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@@H]([C@H]([C@@H](O[C@H]2O[C@@H]3[C@H]([C@H](CO[C@H]3O[C@H]4CC[C@@]5([C@H]6CC=C7[C@H]8CC(CC[C@@]8(CC[C@]7([C@@]6(CCC5C4(C)CO)C)C)C(=O)O)(C)C)C)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C)O)O)O)O)O |
| InChIKey | XFQHPZLNJGZIIH-DELHDUSRSA-N |
Chemical Property Profile of dipsacus saponin B
Property Insights of dipsacus saponin B
The XLogP value of -0.6 indicates that dipsacus saponin B is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 413.0 Ų indicates high polarity, suggesting dipsacus saponin B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, dipsacus saponin B has 15 hydrogen bond donor(s) and 26 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of dipsacus saponin B?
The CAS number of dipsacus saponin B is 152406-42-3.
What is the molecular formula of dipsacus saponin B?
The molecular formula of dipsacus saponin B is C59H96O26.
What is the molecular weight of dipsacus saponin B?
The molecular weight of dipsacus saponin B is 1220.619 g/mol.
Where can I buy dipsacus saponin B?
You can request a quote for dipsacus saponin B directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for dipsacus saponin B?
Yes, CoreyChem provides custom synthesis services for dipsacus saponin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.