Basic information
- Standard SMILES
CC1(C)CC[C@@H]2OC(=O)[C@@]34C[C@@H](C[C@H](O)[C@H]3[C@]23CO[C@@H](O)[C@H]13)[C@]1(CC[C@@]12C(=O)[C@]13C[C@H]2C[C@H](O)[C@H]1[C@@]12CO[C@@H](O)[C@@H]1C(C)(C)CC[C@@H]2OC3=O)C4=O- InChIKey
FRISNZVTWBZYHP-PZDHXCTMSA-N- Molecular formula
- C40H52O12
- Average molar mass
- 724.8 g/mol
- Monoisotopic mass
- 724.3458771
Names & identifiers
- Preferred name
- CID 163026401
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 186 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 0
- Heavy atoms
- 52
- Formal charge
- 0
- Complexity
- 1,620
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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