TPCN02192

Name 3,4,5,6-Tetradehydropalicoside
Molecular Formula C27H30N2O9
Molecular Weight 526.54
CAS Registry Number 245041-38-7
SMILES C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)[O-])C1Cc1c2[nH]c3ccccc3c2cc[n+]1C
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Loganiaceae Strychnos vanprukii Stems 0.008500% Phytochemistry 64, 897-901 (2003). 10.1016/s0031-9422(03)00508-9
Properties
HBA 11 HBD 5
HeavyAtoms 38 AlogP -1.09
TPSA 168.41 RotatableBonds 7
FractionCSP3 0.41 Rings 5
AromaticRings 3 AliphaticRings 2