TPCN05068

Name Compound 6
Molecular Formula C53H86O21
Molecular Weight 1059.25
CAS Registry Number 474967-16-3
SMILES CC(C)CC(=O)OCC12C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(OC7OC(C)C(O)C(O)C7O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC43C)C1CC(C)(C)C(O)C2O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Lecythidaceae Foetidia africana Barks 0.000709% J Nat Prod 65, 1560-1567 (2002) 10.1021/np020151a
Properties
HBA 21 HBD 12
HeavyAtoms 74 AlogP 0.24
TPSA 341.51 RotatableBonds 12
FractionCSP3 0.92 Rings 8
AromaticRings 0 AliphaticRings 8