TPCN05064

Name Caryocaroside II-24
Molecular Formula C61H90O28
Molecular Weight 1271.36
CAS Registry Number 914257-96-8
SMILES CC1OC(OC2C(O)C(CO)OC(OC3C(O)C(OC4CCC5(C)C(CCC6(C)C5CC=C5C7CC(C)(C)CCC7(C(=O)OC7OC(CO)C(O)C(O)C7OC(=O)c7cc(O)c(O)c(O)c7)CCC56C)C4(C)CO)OC(C(=O)O)C3O)C2O)C(O)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Caryocaraceae Caryocar villosum Barks 0.000750% Phytochemistry 67, 2096-2102 (2006) 10.1016/j.phytochem.2006.07.009
Properties
HBA 28 HBD 16
HeavyAtoms 89 AlogP -0.96
TPSA 457.96 RotatableBonds 14
FractionCSP3 0.82 Rings 10
AromaticRings 1 AliphaticRings 9