TPCN05058

Name Caryocaroside III-15
Molecular Formula C59H96O29
Molecular Weight 1269.39
CAS Registry Number 905448-52-4
SMILES CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(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 0.000787% J Nat Prod 69, 919-926 (2006) 10.1021/np060097o
Properties
HBA 29 HBD 18
HeavyAtoms 88 AlogP -5.06
TPSA 473.51 RotatableBonds 16
FractionCSP3 0.95 Rings 10
AromaticRings 0 AliphaticRings 10