TPCN05069

Name Compound 5
Molecular Formula C50H80O21
Molecular Weight 1017.17
CAS Registry Number 474967-14-1
SMILES CC(=O)OC1CC2(C)C(=CCC3C4(C)CCC(OC5OC(C(=O)O)C(OC6OC(C)C(O)C(O)C6O)C(O)C5OC5OC(CO)C(O)C(O)C5O)C(C)(C)C4CCC32C)C2CC(C)(C)C(O)C(O)C12CO
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 71 AlogP -0.78
TPSA 341.51 RotatableBonds 10
FractionCSP3 0.92 Rings 8
AromaticRings 0 AliphaticRings 8