Spinasaponin A
TL;DR: Spinasaponin A (CAS 25406-56-8) is a chemical compound with molecular formula C42H66O14 and molecular weight 794.45 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-carboxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
Also Known As: Spinasaponin A, (2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-carboxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid, 3-O-[O-, A-D-Glucopyranosyl-(1[*]3)-O-(, A-D-glucopyranosyluronsaeure)]-oleanolsaeure
| Molecular Formula | C42H66O14 |
|---|---|
| Molecular Weight | 794.45 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 233.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 7 |
| Exact Mass | 794.44525 |
| Heavy Atoms | 56 |
| Complexity | 1560.0 |
Chemical Identifiers
| CAS Number | 25406-56-8 |
|---|---|
| SMILES | C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)C)(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O |
| InChIKey | BQPYEFAVIPEQIK-CGCSGISQSA-N |
Product Overview
Spinasaponin A (CAS 25406-56-8), with molecular formula C42H66O14 and molecular weight 794.45 g/mol. IUPAC: (2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-carboxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid.
Chemical Property Profile of Spinasaponin A
Property Insights of Spinasaponin A
The XLogP value of 4.5 indicates that Spinasaponin A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 233.0 Ų indicates high polarity, suggesting Spinasaponin A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Spinasaponin A has 8 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Spinasaponin A?
The CAS number of Spinasaponin A is 25406-56-8.
What is the molecular formula of Spinasaponin A?
The molecular formula of Spinasaponin A is C42H66O14.
What is the molecular weight of Spinasaponin A?
The molecular weight of Spinasaponin A is 794.45 g/mol.
Where can I buy Spinasaponin A?
You can request a quote for Spinasaponin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Spinasaponin A?
Yes, KEHONG BIO provides custom synthesis services for Spinasaponin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.