TPCN06126

Name Arboreaside B
Molecular Formula C54H88O23
Molecular Weight 1105.28
CAS Registry Number 1154519-76-2
SMILES CC1CCC2(C(=O)OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(O)C6O)C(C)(CO)C5CCC43C)C2C1C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Araliaceae Cussonia arborea Barks 0.000680% J Nat Prod . 2009 Jun;72(6):1081-6 10.1021/np8008094
Properties
HBA 23 HBD 14
HeavyAtoms 77 AlogP -2.18
TPSA 374.13 RotatableBonds 12
FractionCSP3 0.94 Rings 9
AromaticRings 0 AliphaticRings 9