TL;DR: Hebevinoside VI (CAS 101365-08-6) is a chemical compound with molecular formula C41H68O12 and molecular weight 752.47107 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R,3S,4R,5R,6R)-2-(hydroxymethyl)-6-[[(7R,9S,10R,13R,14S,16S,17R)-7-hydroxy-4,4,9,13,14-pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-16-yl]oxy]oxane-3,4,5-triol
Also Known As: Hebevinoside VI, (2R,3S,4R,5R,6R)-2-(hydroxymethyl)-6-[[(7R,9S,10R,13R,14S,16S,17R)-7-hydroxy-4,4,9,13,14-pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-16-yl]oxy]oxane-3,4,5-triol, beta-D-Glucopyranoside, (3beta,7beta,9beta,10alpha,16beta)-7- hydroxy-9-methyl-3-(beta-D-xylopyranosyloxy)-19-norlanosta-5,24-dien-16-yl
| Molecular Formula | C41H68O12 |
| Molecular Weight | 752.47107 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 199.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 9 |
| Exact Mass | 752.47107 Da |
| Heavy Atoms | 53 |
| Complexity | 1370.0 |
| SMILES | C[C@H](CCC=C(C)C)[C@H]1[C@H](C[C@@]2([C@@]1(CC[C@@]3(C2[C@@H](C=C4[C@@H]3CCC(C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H](CO5)O)O)O)O)C)C)C)O[C@H]6[C@@H]([C@@H]([C@@H]([C@H](O6)CO)O)O)O |
| InChIKey | MPXQWAXHGMPSTR-CEVSYPAPSA-N |
The XLogP value of 3.6 indicates that Hebevinoside VI is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 199.0 Ų indicates high polarity, suggesting Hebevinoside VI may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Hebevinoside VI has 8 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Hebevinoside VI is 101365-08-6.
The molecular formula of Hebevinoside VI is C41H68O12.
The molecular weight of Hebevinoside VI is 752.47107 g/mol.
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