TL;DR: Kingianoside A (CAS 145854-03-1) is a chemical compound with molecular formula C39H60O14 and molecular weight 752.3983 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5'R,6R,7S,9S,13R,16S)-16-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-10-one
Also Known As: Kingianoside A, 12-Oxospirost-5-en-3-yl 4-O-hexopyranosylhexopyranoside, (8xi,9xi,14xi,16xi,17xi,25R)-12-Oxospirost-5-en-3beta-yl 4-O-beta-D-glucopyranosyl-beta-D-galactopyranoside
| Molecular Formula | C39H60O14 |
| Molecular Weight | 752.3983 g/mol |
| XLogP | 0.3 |
| Topological Polar Surface Area (TPSA) | 214.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 6 |
| Exact Mass | 752.3983 Da |
| Heavy Atoms | 53 |
| Complexity | 1410.0 |
| SMILES | C[C@@H]1CC[C@@]2([C@H](C3C(O2)CC4[C@@]3(C(=O)CC5C4CC=C6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)C)C)C)OC1 |
| InChIKey | QMLSDFSTEVPHTD-AFRKZWMQSA-N |
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Kingianoside A. The TPSA of 214.0 Ų indicates high polarity, suggesting Kingianoside A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Kingianoside A has 7 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Kingianoside A is 145854-03-1.
The molecular formula of Kingianoside A is C39H60O14.
The molecular weight of Kingianoside A is 752.3983 g/mol.
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