Soyasaponina1
TL;DR: Soyasaponina1 (CAS 78693-94-4) is a chemical compound with molecular formula C59H96O29 and molecular weight 1268.60 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[[9-[3,5-dihydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4-dihydroxyoxane-2-carboxylic acid
Also Known As: Soyasaponin A1, SOYASAPONINA1, beta-D-Glucopyranosiduronic acid, (3beta,4beta,21beta,22beta)-22-((3-O-beta-D-glucopyranosyl-alpha-L-arabinopyranosyl)oxy)-21,23-dihydroxyolean-12-en-3-yl O-beta-D-glucopyranosyl-(1->2)-O-beta-D-galactopyranosyl-(1->2)-, (2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aR,9S,10R,12aS,14aR,14bR)-9-[(2S,3R,4S,5S)-3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-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,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid, 5-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[[9-[3,5-dihydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4-dihydroxyoxane-2-carboxylic acid
| Molecular Formula | C59H96O29 |
|---|---|
| Molecular Weight | 1268.60 g/mol |
| LogP | -2.4 |
| Topological Polar Surface Area | 474.0 Ų |
| Hydrogen Bond Donors | 18 |
| Hydrogen Bond Acceptors | 29 |
| Rotatable Bonds | 15 |
| Exact Mass | 1268.6038 |
| Heavy Atoms | 88 |
| Complexity | 2460.0 |
Chemical Identifiers
| CAS Number | 78693-94-4 |
|---|---|
| SMILES | CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CCC2(C(C1O)OC6C(C(C(CO6)O)OC7C(C(C(C(O7)CO)O)O)O)O)C)C)C)(C)CO)OC8C(C(C(C(O8)C(=O)O)O)O)OC9C(C(C(C(O9)CO)O)O)OC1C(C(C(C(O1)CO)O)O)O)C)C |
| InChIKey | XFXHYKZIZSNVSQ-UHFFFAOYSA-N |
Product Overview
Soyasaponina1 (CAS 78693-94-4), with molecular formula C59H96O29 and molecular weight 1268.60 g/mol. IUPAC: 5-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[[9-[3,5-dihydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4-dihydroxyoxane-2-carboxylic acid.
Chemical Property Profile of Soyasaponina1
Property Insights of Soyasaponina1
The XLogP value of -2.4 indicates that Soyasaponina1 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 474.0 Ų indicates high polarity, suggesting Soyasaponina1 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Soyasaponina1 has 18 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 Soyasaponina1?
The CAS number of Soyasaponina1 is 78693-94-4.
What is the molecular formula of Soyasaponina1?
The molecular formula of Soyasaponina1 is C59H96O29.
What is the molecular weight of Soyasaponina1?
The molecular weight of Soyasaponina1 is 1268.60 g/mol.
Where can I buy Soyasaponina1?
You can request a quote for Soyasaponina1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Soyasaponina1?
Yes, KEHONG BIO provides custom synthesis services for Soyasaponina1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.