Structure

InChI Key NLYNIRQVMRLPIQ-XQLAAWPRSA-N
Smile CCO[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3
InChI
InChI=1S/C17H28O5/c1-5-18-14-11(3)13-7-6-10(2)12-8-9-16(4)20-15(19-14)17(12,13)22-21-16/h10-15H,5-9H2,1-4H3/t10-,11-,12+,13+,14+,15-,16-,17-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H28O5
Molecular Weight 312.41
AlogP 3.23
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 2.0
Polar Surface Area 46.15
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 22.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 135335
ChEMBL CHEMBL301267
DrugBank DB13851
DrugCentral 246
FDA SRS XGL7GFB9YI
Guide to Pharmacology 9958
PubChem 3000469
SureChEMBL SCHEMBL17156474
ZINC ZINC000008214360