HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 4591Generated: November 2, 2026
(1S,4E,5'R,6R,6'R,7S,8R,10S,11S,12R,14S,15R,16S,18E,20E,22S,25R,27S,28R,29S)-22-ethyl-7,11,14,15-tetrahydroxy-6'-[(2S)-2-hydroxypropyl]-5',6,8,10,12,14,16,28,29-nonamethylspiro[2,26-dioxabicyclo[23.3.1]nonacosa-4,18,20-triene-27,2'-oxane]-3,9,13-trione
https://huagongshe.com/en/chemical/4591
Identifiers & Physical Properties
| Molecular formula | C45H74O11 |
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| Average molar mass | 791.1 g/mol |
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| Monoisotopic mass | 790.52311317 g/mol |
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| SMILES | CCC1C=CC=CCC(C)C(O)C(C)(O)C(=O)C(C)C(O)C(C)C(=O)C(C)C(O)C(C)C=CC(=O)OC2C(C)C(CC1)OC1(CCC(C)C(CC(C)O)O1)C2C |
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| InChIKey | MNULEGDCPYONBU-UHFFFAOYSA-N |
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| PubChem CID | 4591 |
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| DTXSID | DTXSID90859640 |
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Chemical & Physical Properties
| XLogP | 7.1 |
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| Topological polar surface area | 180 |
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| Hydrogen bond donors | 5 |
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| Hydrogen bond acceptors | 11 |
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| Rotatable bonds | 3 |
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| Heavy atoms | 56 |
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| Formal charge | 0 |
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| Complexity | 1,390 |
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![(1S,4E,5'R,6R,6'R,7S,8R,10S,11S,12R,14S,15R,16S,18E,20E,22S,25R,27S,28R,29S)-22-ethyl-7,11,14,15-tetrahydroxy-6'-[(2S)-2-hydroxypropyl]-5',6,8,10,12,14,16,28,29-nonamethylspiro[2,26-dioxabicyclo[23.3.1]nonacosa-4,18,20-triene-27,2'-oxane]-3,9,13-trione molecular structure](/img/chemical/4591.png)