TPCN00500

Name Nor-methyl-23-oxo-correantoside
Molecular Formula C27H30N2O9
Molecular Weight 526.54
CAS Registry Number 1251756-91-8
SMILES C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C2C(=O)n3c4c(c5ccccc53)CCN(C=O)C4CC21
Classify Monoterpenoids
Content
Family Species Part Content (%) Reference DOI
Rubiaceae Psychotria stachyoides Aerial parts 0.000198% Magn Reson Chem, 2010, 48, 734-737. 10.1002/mrc.2656
Properties
HBA 11 HBD 4
HeavyAtoms 38 AlogP 0.22
TPSA 150.92 RotatableBonds 5
FractionCSP3 0.48 Rings 6
AromaticRings 2 AliphaticRings 4