TPCN05070

Name Compound 1
Molecular Formula C42H68O15
Molecular Weight 812.99
CAS Registry Number 474967-07-2
SMILES CC1OC(OC2C(C(=O)O)OC(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)C(O)C(O)C6(CO)C(O)CC45C)C3(C)C)C(O)C2O)C(O)C(O)C1O
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 15 HBD 10
HeavyAtoms 57 AlogP 0.82
TPSA 256.29 RotatableBonds 6
FractionCSP3 0.93 Rings 7
AromaticRings 0 AliphaticRings 7