TPCN04875

Name Caryocaroside IV-8
Molecular Formula C43H68O15
Molecular Weight 825.00
CAS Registry Number 880493-74-3
SMILES COC(=O)C1OC(OC2C(O)CC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(C(=O)O)CCC34C)C2(C)C)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Caryocaraceae Caryocar glabrum Fruits 0.015126% J Nat Prod 69, 196-205 (2006) 10.1021/np050336s
Properties
HBA 15 HBD 8
HeavyAtoms 58 AlogP 2.03
TPSA 242.13 RotatableBonds 7
FractionCSP3 0.91 Rings 7
AromaticRings 0 AliphaticRings 7