TPCN05124

Name Caryocarosides II-16
Molecular Formula C65H106O33
Molecular Weight 1415.53
CAS Registry Number 905448-50-2
SMILES CC1(C)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(O)C(OC7OC(COC8OC(CO)C(O)C(OC9OC(CO)C(O)C(OC%10OCC(O)C(O)C%10O)C9O)C8O)C(O)C(O)C7O)C6O)C(C)(CO)C5CCC43C)C2C1
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Caryocaraceae Caryocar villosum Fruits 0.000337% J Nat Prod 69, 919-926 (2006) 10.1021/np060097o
Properties
HBA 33 HBD 20
HeavyAtoms 98 AlogP -6.78
TPSA 532.43 RotatableBonds 18
FractionCSP3 0.95 Rings 11
AromaticRings 0 AliphaticRings 11