Medicago-saponin P(1)
TL;DR: Medicago-saponin P(1) (CAS 19562-43-7) is a chemical compound with molecular formula C53H86O23 and molecular weight 1090.56 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] (4aR,5R,6aR,6aS,6bR,9R,10S,12aR,14bR)-10-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-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-carboxylate
Also Known As: Medicago-saponin P(1), Medicago-saponin P1, [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] (4aR,5R,6aR,6aS,6bR,9R,10S,12aR,14bR)-10-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-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-carboxylate, 1-o-[(3, A,5xi,16
| Molecular Formula | C53H86O23 |
|---|---|
| Molecular Weight | 1090.56 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 374.0 Ų |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 23 |
| Rotatable Bonds | 12 |
| Exact Mass | 1090.556 |
| Heavy Atoms | 76 |
| Complexity | 2100.0 |
Chemical Identifiers
| CAS Number | 19562-43-7 |
|---|---|
| SMILES | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@H](CO[C@H]2O[C@H]3CC[C@@]4([C@H]5CC=C6[C@H]7CC(CC[C@@]7([C@@H](C[C@]6([C@@]5(CCC4[C@]3(C)CO)C)C)O)C(=O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O)O)O)(C)C)C)O)O)O)O)O |
| InChIKey | YUGFMRZWIRCERU-COSFQHNSSA-N |
Product Overview
Medicago-saponin P(1) (CAS 19562-43-7), with molecular formula C53H86O23 and molecular weight 1090.56 g/mol. IUPAC: [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] (4aR,5R,6aR,6aS,6bR,9R,10S,12aR,14bR)-10-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-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-carboxylate.
Chemical Property Profile of Medicago-saponin P(1)
Property Insights of Medicago-saponin P(1)
The XLogP value of -0.9 indicates that Medicago-saponin P(1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 374.0 Ų indicates high polarity, suggesting Medicago-saponin P(1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Medicago-saponin P(1) has 14 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 Medicago-saponin P(1)?
The CAS number of Medicago-saponin P(1) is 19562-43-7.
What is the molecular formula of Medicago-saponin P(1)?
The molecular formula of Medicago-saponin P(1) is C53H86O23.
What is the molecular weight of Medicago-saponin P(1)?
The molecular weight of Medicago-saponin P(1) is 1090.56 g/mol.
Where can I buy Medicago-saponin P(1)?
You can request a quote for Medicago-saponin P(1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Medicago-saponin P(1)?
Yes, KEHONG BIO provides custom synthesis services for Medicago-saponin P(1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.