TPCN05007

Name Compound 8
Molecular Formula C57H90O23
Molecular Weight 1143.32
CAS Registry Number 474967-19-6
SMILES CC(=O)OC1C(O)C2(COC(=O)CC(C)C)C(OC(C)=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)C2CC1(C)C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Lecythidaceae Foetidia africana Barks 0.001575% J Nat Prod 65, 1560-1567 (2002) 10.1021/np020151a
Properties
HBA 23 HBD 10
HeavyAtoms 80 AlogP 1.38
TPSA 353.65 RotatableBonds 14
FractionCSP3 0.89 Rings 8
AromaticRings 0 AliphaticRings 8