TPCN04226

Name Desacylescin III
Molecular Formula C48H78O21
Molecular Weight 991.13
CAS Registry Number 182167-44-8
SMILES CC1(C)CC2C3=CCC4C5(C)CCC(OC6OC(C(=O)O)C(OC7OC(CO)C(O)C(O)C7O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C3(C)CC(O)C2(CO)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Lecythidaceae Careya arborea Leaves 0.006200% Phytochemistry 67(2): 183-190. 10.1016/j.phytochem.2005.10.028
Properties
HBA 21 HBD 14
HeavyAtoms 69 AlogP -2.38
TPSA 355.67 RotatableBonds 10
FractionCSP3 0.94 Rings 8
AromaticRings 0 AliphaticRings 8