TPCN04959

Name Compound 7
Molecular Formula C55H88O22
Molecular Weight 1101.29
CAS Registry Number 474967-18-5
SMILES CC(=O)OC1C(O)C2(COC(=O)CC(C)C)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 0.003465% J Nat Prod 65, 1560-1567 (2002) 10.1021/np020151a
Properties
HBA 22 HBD 11
HeavyAtoms 77 AlogP 0.81
TPSA 347.58 RotatableBonds 13
FractionCSP3 0.91 Rings 8
AromaticRings 0 AliphaticRings 8