TPCN04961

Name Caryocaroside IV-11
Molecular Formula C48H76O20
Molecular Weight 973.12
CAS Registry Number 880493-81-2
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(OC8OC(CO)C(O)C(O)C8O)C7O)C6O)C(C)(C)C5CCC43C)C2C1
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Caryocaraceae Caryocar glabrum Fruits 0.003361% J Nat Prod 69, 196-205 (2006) 10.1021/np050336s
Properties
HBA 20 HBD 12
HeavyAtoms 68 AlogP -0.23
TPSA 332.28 RotatableBonds 10
FractionCSP3 0.92 Rings 8
AromaticRings 0 AliphaticRings 8