Kudzusaponin SA3
TL;DR: Kudzusaponin SA3 (CAS 168288-06-0) 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,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aR,9S,10R,12aS,14aR,14bR)-10-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-9-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid
Also Known As: Kudzusaponin SA3, (3beta,4beta,21beta,22beta)-22-(alpha-L-Arabinopyranosyloxy)-21,23-dihydroxyolean-12-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-->2)-O-beta-D-galactopyranosyl-(1-->2)-beta-D-glucopyranosiduronic acid, (3I(2),4I(2),21I(2),22I(2))-22-(I+/--L-Arabinopyranosyloxy)-21,23-dihydroxyolean-12-en-3-yl O-6-deoxy-I+/--L-mannopyranosyl-(1a2)-O-I(2)-D-galactopyranosyl-(1a2)-I(2)-D-glucopyranosiduronic acid
| Molecular Formula | C53H86O23 |
|---|---|
| Molecular Weight | 1090.56 g/mol |
| LogP | -1.8613 |
| Topological Polar Surface Area | 374.13 Ų |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 11 |
| Exact Mass | 1090.556 |
| Heavy Atoms | 76 |
| Complexity | 2118.1592 |
Chemical Identifiers
| CAS Number | 168288-06-0 |
|---|---|
| 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]([C@H](O[C@H]3O[C@H]4CC[C@]5([C@H]([C@@]4(C)CO)CC[C@@]6([C@@H]5CC=C7[C@]6(CC[C@@]8([C@H]7CC([C@H]([C@H]8O[C@H]9[C@@H]([C@H]([C@H](CO9)O)O)O)O)(C)C)C)C)C)C)C(=O)O)O)O)CO)O)O)O)O)O |
Product Overview
Kudzusaponin SA3 (CAS 168288-06-0), with molecular formula C53H86O23 and molecular weight 1090.56 g/mol. IUPAC: (2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aR,9S,10R,12aS,14aR,14bR)-10-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-9-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid.
Chemical Property Profile of Kudzusaponin SA3
Property Insights of Kudzusaponin SA3
The XLogP value of -1.8613 indicates that Kudzusaponin SA3 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 374.13 Ų indicates high polarity, suggesting Kudzusaponin SA3 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Kudzusaponin SA3 has 14 hydrogen bond donor(s) and 22 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Kudzusaponin SA3?
The CAS number of Kudzusaponin SA3 is 168288-06-0.
What is the molecular formula of Kudzusaponin SA3?
The molecular formula of Kudzusaponin SA3 is C53H86O23.
What is the molecular weight of Kudzusaponin SA3?
The molecular weight of Kudzusaponin SA3 is 1090.56 g/mol.
Where can I buy Kudzusaponin SA3?
You can request a quote for Kudzusaponin SA3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Kudzusaponin SA3?
Yes, KEHONG BIO provides custom synthesis services for Kudzusaponin SA3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.