STAGONOLIDE G

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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 ...

Structure

InChI Key YTPQADMIIIZGDS-UJNGWYBVSA-N
Smiles C[C@H]1OC(=O)CC[C@H](O)C\C=C/[C@H]1O
InChI
InChI=1S/C10H16O4/c1-7-9(12)4-2-3-8(11)5-6-10(13)14-7/h2,4,7-9,11-12H,3,5-6H2,1H3/b4-2-/t7-,8-,9-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H16O4
Molecular Weight 200.23
AlogP 0.42
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Polar Surface Area 66.76
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 14.0

Cross References

Resources Reference
ChEMBL CHEMBL2251288
PubChem 25156436
CONTENTS