TPCN00068

Name Demethylalangiside
Molecular Formula C24H29NO10
Molecular Weight 491.49
CAS Registry Number 47763-23-5
SMILES C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C2C(=O)N3CCc4cc(O)c(O)cc4C3CC21
Classify Monoterpenoids
Content
Family Species Part Content (%) Reference DOI
Cornaceae Alangium kurzii Leaves 0.013815% Chem Pharm Bull (Tokyo), 2000, 48, 415-419. 10.1248/cpb.48.415
Rubiaceae Cephaelis acuminata Roots 0.000128% Phytochemistry, 2002, 59, 91-97. 10.1016/s0031-9422(01)00418-6
Properties
HBA 11 HBD 6
HeavyAtoms 35 AlogP -0.60
TPSA 169.38 RotatableBonds 4
FractionCSP3 0.54 Rings 5
AromaticRings 1 AliphaticRings 4