TL;DR: Mimonoside B (CAS 15761-06-5) is a chemical compound with molecular formula C63H102O29 and molecular weight 1322.6506 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
10-[3-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(3,4,5-trihydroxyoxan-2-yl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Also Known As: Mimonoside B, 3-{[6-deoxyhexopyranosyl-(1-, 10-[3-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(3,4,5-trihydroxyoxan-2-yl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid, 3-O-(((alpha-rhamnopyranosyl-(1-2)-beta-glucopyranosyl-(1-3))-(alpha-arabinopyranosyl-(1-4))-beta-xylopyranosyl-(1-2)-(beta-xylopyranosyl-(1-4))-beta-xylopyranosyl-(1-2))-(beta-xylopyranosyl-(1-4))-beta-glucopyranosyl)oleanolic acid, 3-O-(((alpha-Rhamnopyranosyl(1-2)-beta-glucopyranosyl-(1-3))-(alpha-arabinopyranosyl-(1-4))-beta-xylopyranosyl-(1-2)-(beta-xylopyranosyl-(1-4))-beta-xylopyranosyl-(1-2))-(beta-xylopyranosyl-(1-4))-beta-glucopyranosyl)oleanolic acid
| Molecular Formula | C63H102O29 |
| Molecular Weight | 1322.6506 g/mol |
| XLogP | -2.5 |
| Topological Polar Surface Area (TPSA) | 463.0 Ų |
| Hydrogen Bond Donors | 17 |
| Hydrogen Bond Acceptors | 29 |
| Rotatable Bonds | 14 |
| Exact Mass | 1322.6506 Da |
| Heavy Atoms | 92 |
| Complexity | 2600.0 |
| SMILES | CC1C(C(C(C(O1)OC2C(C(C(OC2OC3C(C(OC(C3O)OC4C(C(C(OC4OC5CCC6(C(C5(C)C)CCC7(C6CC=C8C7(CCC9(C8CC(CC9)(C)C)C(=O)O)C)C)C)CO)OC1C(C(C(CO1)O)O)O)O)C1C(C(C(CO1)O)O)O)O)CO)O)O)O)O)O |
| InChIKey | WXICVNMUAGRJND-UHFFFAOYSA-N |
The XLogP value of -2.5 indicates that Mimonoside B is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 463.0 Ų indicates high polarity, suggesting Mimonoside B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Mimonoside B has 17 hydrogen bond donor(s) and 29 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Mimonoside B is 15761-06-5.
The molecular formula of Mimonoside B is C63H102O29.
The molecular weight of Mimonoside B is 1322.6506 g/mol.
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