TPCN00573

Name (4R)-4-hydroxyipecoside
Molecular Formula C27H35NO13
Molecular Weight 581.57
CAS Registry Number 408363-54-2
SMILES C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC1c2cc(O)c(O)cc2C(O)CN1C(C)=O
Classify Monoterpenoids
Content
Family Species Part Content (%) Reference DOI
Rubiaceae Cephaelis acuminata Roots 0.000130% Phytochemistry, 2002, 59, 91-97. 10.1016/s0031-9422(01)00418-6
Properties
HBA 14 HBD 7
HeavyAtoms 41 AlogP -0.93
TPSA 215.91 RotatableBonds 7
FractionCSP3 0.56 Rings 4
AromaticRings 1 AliphaticRings 3