TPCN04915

Name Caryocaroside III-7
Molecular Formula C42H66O16
Molecular Weight 826.97
CAS Registry Number 880493-73-2
SMILES CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(OC6OC(C(=O)O)C(O)C(OC7OC(CO)C(O)C(O)C7O)C6O)C(C)(CO)C5CCC43C)C2C1
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Caryocaraceae Caryocar glabrum Fruits 0.006723% J Nat Prod 69, 196-205 (2006) 10.1021/np050336s
Properties
HBA 16 HBD 10
HeavyAtoms 58 AlogP 0.92
TPSA 273.36 RotatableBonds 8
FractionCSP3 0.90 Rings 7
AromaticRings 0 AliphaticRings 7