TL;DR: yemuoside YM(9) (CAS 128553-98-0) is a chemical compound with molecular formula C64H102O30 and molecular weight 1350.6456 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[6-[[3,4-dihydroxy-6-(hydroxymethyl)-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] 10-[3-[3,5-dihydroxy-6-methyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-6a,6b,9,9,12a-pentamethyl-2-methylidene-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
Also Known As: Yemuoside YM(9), Yemuoside YM9, [6-[[3,4-dihydroxy-6-(hydroxymethyl)-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] 10-[3-[3,5-dihydroxy-6-methyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-6a,6b,9,9,12a-pentamethyl-2-methylidene-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate, 3-O-beta-Glucopyranosyl-(1-3)-alpha-rhamnopyranosyl-(1-2)-alpha-arabinopyranosyl-30-noroleana-12,20(29)-dien-28-oic acid 28-O-beta-glucopyranosyl-(1-6)-beta-glucopyranoside, 30-Noroleana-12,20(29)-dien-28-oic acid, 3-((O-beta-D-glucopyranosyl-(1-3)-O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-alpha-L-arabinopyranosyl)oxy)-, O-6-deoxy-alpha-L-mannopyranosyl-(1-4)-O-beta-D-glucopyranosyl(1-6)-.be
| Molecular Formula | C64H102O30 |
| Molecular Weight | 1350.6456 g/mol |
| XLogP | -3.6 |
| Topological Polar Surface Area (TPSA) | 472.0 Ų |
| Hydrogen Bond Donors | 17 |
| Hydrogen Bond Acceptors | 30 |
| Rotatable Bonds | 16 |
| Exact Mass | 1350.6456 Da |
| Heavy Atoms | 94 |
| Complexity | 2670.0 |
| SMILES | CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OCC3C(C(C(C(O3)OC(=O)C45CCC(=C)CC4C6=CCC7C8(CCC(C(C8CCC7(C6(CC5)C)C)(C)C)OC9C(C(C(CO9)O)O)OC1C(C(C(C(O1)C)O)OC1C(C(C(C(O1)CO)O)O)O)O)C)O)O)O)CO)O)O)O |
| InChIKey | VQNYXFCBCCJLPK-UHFFFAOYSA-N |
The XLogP value of -3.6 indicates that yemuoside YM(9) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 472.0 Ų indicates high polarity, suggesting yemuoside YM(9) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, yemuoside YM(9) has 17 hydrogen bond donor(s) and 30 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of yemuoside YM(9) is 128553-98-0.
The molecular formula of yemuoside YM(9) is C64H102O30.
The molecular weight of yemuoside YM(9) is 1350.6456 g/mol.
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