Identifiers & Physical Properties
| CAS No. | 90547-93-6 |
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| Molecular formula | C54H80O20 |
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| Average molar mass | 1,049.2 g/mol |
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| Monoisotopic mass | 1,048.52429494 g/mol |
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| SMILES | CC1(C)[C@@H](O[C@@H]2OC[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC[C@]2(C)[C@H]3C[C@H]4O[C@]45[C@@H]4C[C@@](C)(C=O)[C@@H](OC(=O)c6ccccc6)C[C@]4(C)[C@@H](O)C[C@@]5(C)[C@]3(C)CC[C@@H]12 |
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| InChIKey | RTMPAEPNXWUCGZ-ITFDNFFVSA-N |
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| PubChem CID | 441908 |
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| ChEBI | CHEBI:2936 |
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| DTXSID | DTXSID60331665 |
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Chemical & Physical Properties
| XLogP | 2 |
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| Topological polar surface area | 314 |
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| Hydrogen bond donors | 10 |
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| Hydrogen bond acceptors | 20 |
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| Rotatable bonds | 12 |
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| Heavy atoms | 74 |
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| Formal charge | 0 |
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| Complexity | 2,060 |
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