Synonyms | |
Molecule Category | Free-form |
Source | Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ... |
InChI Key | QVXFIBXCQCYPLP-WQZWDNGFSA-N | |
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Smiles | ||
InChI |
|
Property Name | Value | |
---|---|---|
Molecular Formula | C29H38O16 | |
Molecular Weight | 642.6 | |
AlogP | -3.3 | |
Hydrogen Bond Acceptor | 16.0 | |
Hydrogen Bond Donor | 6.0 | |
Number of Rotational Bond | 7.0 | |
Polar Surface Area | 245.03 | |
Molecular species | NEUTRAL | |
Aromatic Rings | 0.0 | |
Heavy Atoms | 45.0 |
Resources | Reference | |
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ChEMBL | CHEMBL506706 | |
PubChem | 10484290 |