TPCN05081

Name Compound 12
Molecular Formula C51H80O19
Molecular Weight 997.18
CAS Registry Number 474967-23-2
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(O)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 0.000630% J Nat Prod 65, 1560-1567 (2002) 10.1021/np020151a
Properties
HBA 19 HBD 8
HeavyAtoms 70 AlogP 2.53
TPSA 294.73 RotatableBonds 12
FractionCSP3 0.88 Rings 7
AromaticRings 0 AliphaticRings 7