TPCN04878

Name Caryocaroside IV-7
Molecular Formula C42H66O15
Molecular Weight 810.98
CAS Registry Number 880493-71-0
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)(C)C5CCC43C)C2C1
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Caryocaraceae Caryocar glabrum Fruits 0.014286% J Nat Prod 69, 196-205 (2006) 10.1021/np050336s
Properties
HBA 15 HBD 9
HeavyAtoms 57 AlogP 1.95
TPSA 253.13 RotatableBonds 7
FractionCSP3 0.90 Rings 7
AromaticRings 0 AliphaticRings 7