DAUCOSTEROL
PubChem ID
5742590
Chemical Name
DAUCOSTEROL
Molecular Formula
C35H60O6
Canonical SMILES
CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)C
IUPAC Name
(2R,3R,4S,5S,6R)-2-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
6
Molecular Weight
576.859 g/mol
XLogP
7.7
Rotatable Bond Count
9
Lipinsky's Rule of Five
No
Sources
Clove
