Dehydrosoyasaponin I
TL;DR: Dehydrosoyasaponin I (CAS 117210-14-7) is a chemical compound with molecular formula C48H76O18 and molecular weight 940.5032 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,3S,4S,5R)-6-[[(3S,4S,4aR,6aR,6bS,8aR,12aS,14aR,14bR)-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-9-oxo-2,3,4a,5,6,7,8,10,12,12a,14,14a-dodecahydro-1H-picen-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: Dehydrosoyasaponin I, Soyasaponin Be, DHS-I, (3beta,4beta)-23-Hydroxy-22-oxoolean-12-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-O-beta-D-galactopyranosyl-(1-2)-beta-D-glucopyranosiduronic acid, (2S,3S,4S,5R)-6-[[(3S,4S,4aR,6aR,6bS,8aR,12aS,14aR,14bR)-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-9-oxo-2,3,4a,5,6,7,8,10,12,12a,14,14a-dodecahydro-1H-picen-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
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C48H76O18 |
| Molecular Weight | 940.5032 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 292.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 9 |
| Exact Mass | 940.5032 Da |
| Heavy Atoms | 66 |
| Complexity | 1860.0 |
| 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](OC3O[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(CC8=O)(C)C)C)C)C)C)C(=O)O)O)O)CO)O)O)O)O)O |
| InChIKey | CROUPKILZUPLQA-MVVLPMKLSA-N |
Chemical Property Profile of Dehydrosoyasaponin I
Property Insights of Dehydrosoyasaponin I
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dehydrosoyasaponin I. The TPSA of 292.0 Ų indicates high polarity, suggesting Dehydrosoyasaponin I may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dehydrosoyasaponin I has 10 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Dehydrosoyasaponin I?
The CAS number of Dehydrosoyasaponin I is 117210-14-7.
What is the molecular formula of Dehydrosoyasaponin I?
The molecular formula of Dehydrosoyasaponin I is C48H76O18.
What is the molecular weight of Dehydrosoyasaponin I?
The molecular weight of Dehydrosoyasaponin I is 940.5032 g/mol.
Where can I buy Dehydrosoyasaponin I?
You can request a quote for Dehydrosoyasaponin I directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Dehydrosoyasaponin I?
Yes, CoreyChem provides custom synthesis services for Dehydrosoyasaponin I and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.