TPCN00030

Name 5"-hydroxydigipenstroside
Molecular Formula C26H40O12
Molecular Weight 544.59
CAS Registry Number 136051-67-7
SMILES CC(=CCC(O)C(C)=CCO)C(=O)OCC=C(C)C(O)CC=C(C)C(=O)OC1OC(CO)C(O)C(O)C1O
Classify Monoterpenoids
Content
Family Species Part Content (%) Reference DOI
Zingiberaceae Penstemon digitalis Leaves 0.047826% Planta Med, 1991, 57, 187-189. 10.1055/s-2006-960063
Properties
HBA 12 HBD 7
HeavyAtoms 38 AlogP -0.85
TPSA 203.44 RotatableBonds 13
FractionCSP3 0.62 Rings 1
AromaticRings 0 AliphaticRings 1