TL;DR: O-rhamnosyl--(1''-4')-14'-hydroxywedeloside (CAS 131862-38-9) is a chemical compound with molecular formula C46H65NO18 and molecular weight 919.42017 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4S,7S,9S,10S,13S,15R)-7-[(2R,3R,4R,5S,6R)-3-(2,2-dimethylpropanoylamino)-6-(hydroxymethyl)-4-(3-hydroxy-3-phenylpropanoyl)oxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-13,15-dihydroxy-9-methyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5,5-dicarboxylic acid
Also Known As: RHHWE, BB_SC-5796, O-rhamnosyl--(1''-4')-14'-hydroxywedeloside, O-Rhamnosyl-(1''-4')-14'-hydroxywedeloside, O-rhamnosyl--(1/'/'-4/')-14/'-hydroxywedeloside
| Molecular Formula | C46H65NO18 |
| Molecular Weight | 919.42017 g/mol |
| XLogP | -0.1 |
| Topological Polar Surface Area (TPSA) | 309.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 14 |
| Exact Mass | 919.42017 Da |
| Heavy Atoms | 65 |
| Complexity | 1800.0 |
| SMILES | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2OC(=O)CC(C3=CC=CC=C3)O)NC(=O)C(C)(C)C)O[C@H]4C[C@]5([C@@H]6CC[C@@]7(CC6(CC[C@@H]5C(C4)(C(=O)O)C(=O)O)[C@H](C7=C)O)O)C)CO)O)O)O |
| InChIKey | HSOPLEIUXGFKIB-KJAVYXPRSA-N |
The XLogP value of -0.1 indicates that O-rhamnosyl--(1''-4')-14'-hydroxywedeloside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 309.0 Ų indicates high polarity, suggesting O-rhamnosyl--(1''-4')-14'-hydroxywedeloside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, O-rhamnosyl--(1''-4')-14'-hydroxywedeloside has 10 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of O-rhamnosyl--(1''-4')-14'-hydroxywedeloside is 131862-38-9.
The molecular formula of O-rhamnosyl--(1''-4')-14'-hydroxywedeloside is C46H65NO18.
The molecular weight of O-rhamnosyl--(1''-4')-14'-hydroxywedeloside is 919.42017 g/mol.
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