TPCN05071

Name Compound 9
Molecular Formula C48H76O20
Molecular Weight 973.12
CAS Registry Number 178249-02-0
SMILES CC1(C)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(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 0.000706% Phytochemistry 42, 809-814 (1996) 10.1016/0031-9422(96)00003-9
Properties
HBA 20 HBD 12
HeavyAtoms 68 AlogP -0.79
TPSA 332.28 RotatableBonds 10
FractionCSP3 0.92 Rings 8
AromaticRings 0 AliphaticRings 8