TPCN03654

Name Thalictoside C
Molecular Formula C54H90O21
Molecular Weight 1075.29
CAS Registry Number 146469-97-8
SMILES CC(=CCC(O)C(C)C1CCC2(C)C3CCC4C(C)(C)C(OC5OC(C)C(OC6OC(COC7OC(CO)C(O)C(O)C7O)C(O)C(O)C6OC6OC(C)C(O)C(O)C6O)C(O)C5O)CCC45CC35CCC12C)CO
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Meliaceae Aphanamixis grandifolia Stems 0.001350% Fitoterapia 86, 217-221 (2013). 10.1016/j.fitote.2013.02.011
Properties
HBA 21 HBD 13
HeavyAtoms 75 AlogP -0.54
TPSA 336.83 RotatableBonds 15
FractionCSP3 0.96 Rings 9
AromaticRings 0 AliphaticRings 9