TL;DR: 2'-O-Glucopyranosylmomordin Ic (CAS 152203-45-7) is a chemical compound with molecular formula C47H74O18 and molecular weight 926.4875 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,3S,4S,5R,6R)-6-[[(3S,6aR,6bS,8aS,12aS,14bR)-8a-carboxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2-carboxylic acid
Also Known As: 2'-O-Glucopyranosylmomordin Ic, (2S,3S,4S,5R,6R)-6-[[(3S,6Ar,6bS,8aS,12aS,14bR)-8a-carboxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2-carboxylic acid
| Molecular Formula | C47H74O18 |
| Molecular Weight | 926.4875 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 292.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 9 |
| Exact Mass | 926.4875 Da |
| Heavy Atoms | 65 |
| Complexity | 1830.0 |
| SMILES | C[C@]12CC[C@@H](C(C1CC[C@@]3(C2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)C)(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O[C@H]7[C@@H]([C@H]([C@@H](CO7)O)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O |
| InChIKey | ZQJUBKCZQLYDNH-FEKJHGOASA-N |
The XLogP value of 3.0 indicates that 2'-O-Glucopyranosylmomordin Ic is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 292.0 Ų indicates high polarity, suggesting 2'-O-Glucopyranosylmomordin Ic may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2'-O-Glucopyranosylmomordin Ic has 10 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2'-O-Glucopyranosylmomordin Ic is 152203-45-7.
The molecular formula of 2'-O-Glucopyranosylmomordin Ic is C47H74O18.
The molecular weight of 2'-O-Glucopyranosylmomordin Ic is 926.4875 g/mol.
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