TPCN00643

Name 3,7-dimethyl-2(E), 6-octadien-5-one-1-O-[-??-D-6''-O-acetylglucopyra-nosyl (1''??6')-??-D-glucopyranoside]
Molecular Formula C24H38O13
Molecular Weight 534.56
CAS Registry Number 1160611-65-3
SMILES CC(=O)OCC1OC(OCC2OC(OCC=C(C)CC(=O)C=C(C)C)C(O)C(O)C2O)C(O)C(O)C1O
Classify Monoterpenoids
Content
Family Species Part Content (%) Reference DOI
Fabaceae Indigofera heterantha Whole plants 0.000072% Nat Prod Res, 2008, 22, 1189-1195. 10.1080/14786410801980097
Properties
HBA 13 HBD 6
HeavyAtoms 37 AlogP -1.93
TPSA 201.67 RotatableBonds 11
FractionCSP3 0.75 Rings 2
AromaticRings 0 AliphaticRings 2