Soyasaponin I
TL;DR: Soyasaponin I (CAS 51330-27-9) is a chemical compound with molecular formula C48H78O18 and molecular weight 942.52 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,9R,12aS,14aR,14bR)-9-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,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid
Also Known As: Soyasaponin I, Soyasaponin Bb, soyasaponin 1, SoyasaponinBb, Soyasaponin-Bb
| Molecular Formula | C48H78O18 |
|---|---|
| Molecular Weight | 942.52 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 295.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 9 |
| Exact Mass | 942.5188 |
| Heavy Atoms | 66 |
| Complexity | 1820.0 |
| Melting Point | 238 - 240 °C |
Chemical Identifiers
| CAS Number | 51330-27-9 |
|---|---|
| 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[C@H]8O)(C)C)C)C)C)C)C(=O)O)O)O)CO)O)O)O)O)O |
| InChIKey | PTDAHAWQAGSZDD-IOVCITQVSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Soyasaponin I (CAS 51330-27-9), with molecular formula C48H78O18 and molecular weight 942.52 g/mol. IUPAC: (2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aR,9R,12aS,14aR,14bR)-9-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,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 Soyasaponin I
Property Insights of Soyasaponin I
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Soyasaponin I. The TPSA of 295.0 Ų indicates high polarity, suggesting Soyasaponin I may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Soyasaponin I has 11 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Soyasaponin I?
The CAS number of Soyasaponin I is 51330-27-9.
What is the molecular formula of Soyasaponin I?
The molecular formula of Soyasaponin I is C48H78O18.
What is the molecular weight of Soyasaponin I?
The molecular weight of Soyasaponin I is 942.52 g/mol.
Where can I buy Soyasaponin I?
You can request a quote for Soyasaponin I directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Soyasaponin I?
Yes, KEHONG BIO provides custom synthesis services for Soyasaponin I and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.