Triterpenoid saponin tub
TL;DR: Triterpenoid saponin tub (CAS 102040-03-9) is a chemical compound with molecular formula C65H102O29 and molecular weight 1346.65 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,4S,7R,8S,9R,11S,13S,14S,18S,21R,22R,23S,24R,25R,27R,28S,29S,30R,32R,34R,35S,37S,38S,41R,42R,46S,53S,54R,56S,57R)-7,8,18,22,23,24,28,29,35,57-decahydroxy-30,54-bis(hydroxymethyl)-13,18,37,41,42,46,48,48,53,54-decamethyl-56-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-3,5,10,12,15,26,31,33,55-nonaoxadecacyclo[39.9.3.211,14.121,25.134,38.01,46.04,9.027,32.037,42.045,53]heptapentacont-44-ene-2,16,20-trione
Also Known As: Tubeimoside, Tubeimoside I, TBMS1 saponin, Triterpenoid saponin tub, TUBEIMOSIDE A
| Molecular Formula | C65H102O29 |
|---|---|
| Molecular Weight | 1346.65 g/mol |
| LogP | -1.6 |
| Topological Polar Surface Area | 456.0 Ų |
| Hydrogen Bond Donors | 15 |
| Hydrogen Bond Acceptors | 29 |
| Rotatable Bonds | 4 |
| Exact Mass | 1346.6506 |
| Heavy Atoms | 94 |
| Complexity | 2830.0 |
Chemical Identifiers
| CAS Number | 102040-03-9 |
|---|---|
| SMILES | C[C@H]1[C@H]2[C@H]([C@H]([C@@H](O1)O[C@@H]3[C@H]([C@@H](CO[C@H]3OC(=O)[C@@]45CC[C@@]6(C(=CC[C@]7([C@]6(CC[C@H]8[C@@]7(C[C@@H]([C@@H]([C@@]8(C)CO)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)C(=O)C[C@](CC(=O)O2)(C)O)O)O)O)O)C)C)C)[C@@]4(CC(CC5)(C)C)C)C)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O |
| InChIKey | BMCOIOWWHJTOPU-PIZJLCQLSA-N |
Product Overview
Triterpenoid saponin tub (CAS 102040-03-9), with molecular formula C65H102O29 and molecular weight 1346.65 g/mol. IUPAC: (1S,4S,7R,8S,9R,11S,13S,14S,18S,21R,22R,23S,24R,25R,27R,28S,29S,30R,32R,34R,35S,37S,38S,41R,42R,46S,53S,54R,56S,57R)-7,8,18,22,23,24,28,29,35,57-decahydroxy-30,54-bis(hydroxymethyl)-13,18,37,41,42,46,48,48,53,54-decamethyl-56-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-3,5,10,12,15,26,31,33,55-nonaoxadecacyclo[39.9.3.211,14.121,25.134,38.01,46.04,9.027,32.037,42.045,53]heptapentacont-44-ene-2,16,20-trione.
Chemical Property Profile of Triterpenoid saponin tub
Property Insights of Triterpenoid saponin tub
The XLogP value of -1.6 indicates that Triterpenoid saponin tub is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 456.0 Ų indicates high polarity, suggesting Triterpenoid saponin tub may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Triterpenoid saponin tub has 15 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 Triterpenoid saponin tub?
The CAS number of Triterpenoid saponin tub is 102040-03-9.
What is the molecular formula of Triterpenoid saponin tub?
The molecular formula of Triterpenoid saponin tub is C65H102O29.
What is the molecular weight of Triterpenoid saponin tub?
The molecular weight of Triterpenoid saponin tub is 1346.65 g/mol.
Where can I buy Triterpenoid saponin tub?
You can request a quote for Triterpenoid saponin tub directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Triterpenoid saponin tub?
Yes, KEHONG BIO provides custom synthesis services for Triterpenoid saponin tub and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.