TL;DR: Protoaescigenin (CAS 13844-22-9) is a chemical compound with molecular formula C30H50O6 and molecular weight 506.36075 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4a,9-bis(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-3,4,5,10-tetrol
Also Known As: Gymnemagenin, Protoaescigenin, Protoescigenin, Theasapogenol A, Protoescigenine
| Molecular Formula | C30H50O6 |
| Molecular Weight | 506.36075 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 121.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 506.36075 Da |
| Heavy Atoms | 36 |
| Complexity | 932.0 |
| SMILES | CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CC(C2(C(C1O)O)CO)O)C)C)(C)CO)O)C)C |
| InChIKey | VKJLHZZPVLQJKG-UHFFFAOYSA-N |
The XLogP value of 4.0 indicates that Protoaescigenin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Protoaescigenin. Following Lipinski's Rule of Five, Protoaescigenin has 6 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Protoaescigenin is 13844-22-9.
The molecular formula of Protoaescigenin is C30H50O6.
The molecular weight of Protoaescigenin is 506.36075 g/mol.
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