TPCN05021

Name Compound 6
Molecular Formula C42H66O16
Molecular Weight 826.97
CAS Registry Number 155645-75-3
SMILES CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(OC6OC(C(=O)O)C(OC7OC(CO)C(O)C(O)C7O)C(O)C6O)C(C)(CO)C5CCC43C)C2C1
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Sabiaceae Meliosma lanceolata Barks 0.001294% Phytochemistry 42, 809-814 (1996) 10.1016/0031-9422(96)00003-9
Properties
HBA 16 HBD 10
HeavyAtoms 58 AlogP 0.92
TPSA 273.36 RotatableBonds 8
FractionCSP3 0.90 Rings 7
AromaticRings 0 AliphaticRings 7