TPCN04926

Name Caryocaroside IV-5
Molecular Formula C36H56O10
Molecular Weight 648.83
CAS Registry Number 879507-53-6
SMILES CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(OC6OC(C(=O)O)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Caryocaraceae Caryocar glabrum Fruits 0.005882% J Nat Prod 69, 196-205 (2006) 10.1021/np050336s
Properties
HBA 10 HBD 6
HeavyAtoms 46 AlogP 4.12
TPSA 173.98 RotatableBonds 4
FractionCSP3 0.89 Rings 6
AromaticRings 0 AliphaticRings 6