Alborixin
(2R)-2-[(2S,3S,5R,6S)-6-[(2R,3S)-3-[(2R,5S,6R)-6-[[(2R,3S,5R,6R)-6-[(R)-[(2S,5S)-5-[(2R,3R,5S)-5-[(2R,5R,6S)-6-ethyl-5-hydroxy-5-methyloxan-2-yl]-2-hydroxy-3,5-dimethyloxolan-2-yl]-5-methyloxolan-2-yl]-hydroxymethyl]-6-hydroxy-3,5-dimethyloxan-2-yl]methyl]-6-hydroxy-5-methyloxan-2-yl]-2-hydroxybutyl]-3,5-dimethyloxan-2-yl]propanoic acid
| Molecular Formula | C48H84O14 |
|---|---|
| Molecular Weight | 885.2 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 214.0 A2 |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 13 |
| Exact Mass | 884.5861 |
| Heavy Atoms | 62 |
| Complexity | 1550.0 |
Chemical Identifiers
| CAS Number | 57760-36-8 |
|---|---|
| SMILES | CCC1C(CCC(O1)C2(CC(C(O2)(C3(CCC(O3)C(C4(C(CC(C(O4)CC5(C(CCC(O5)C(C)C(CC6C(CC(C(O6)C(C)C(=O)O)C)C)O)C)O)C)C)O)O)C)O)C)C)(C)O |
| InChIKey | WWDHGOLBPBWCNJ-GXXSWWTOSA-N |
📖 Product Overview
Alborixin (CAS: 57760-36-8) is a chemical compound with molecular formula C48H84O14 and molecular weight 885.2 g/mol. Its IUPAC systematic name is (2R)-2-[(2S,3S,5R,6S)-6-[(2R,3S)-3-[(2R,5S,6R)-6-[[(2R,3S,5R,6R)-6-[(R)-[(2S,5S)-5-[(2R,3R,5S)-5-[(2R,5R,6S)-6-ethyl-5-hydroxy-5-methyloxan-2-yl]-2-hydroxy-3,5-dimethyloxolan-2-yl]-5-methyloxolan-2-yl]-hydroxymethyl]-6-hydroxy-3,5-dimethyloxan-2-yl]methyl]-6-hydroxy-5-methyloxan-2-yl]-2-hydroxybutyl]-3,5-dimethyloxan-2-yl]propanoic acid.
WWDHGOLBPBWCNJ-GXXSWWTOSA-N.
SMILES: CCC1C(CCC(O1)C2(CC(C(O2)(C3(CCC(O3)C(C4(C(CC(C(O4)CC5(C(CCC(O5)C(C)C(CC6C(CC(C(O6)C(C)C(=O)O)C)C)O)C)O)C)C)O)O)C)O)C)C)(C)O.
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