TPCN04995

Name Dodoneasides A
Molecular Formula C57H88O22
Molecular Weight 1125.31
CAS Registry Number 1186496-75-2
SMILES CC=C(C)C(=O)OC1C(OC(=O)C(C)=CC)C2(C)C(CC1(C)C)C1=CCC3C4(C)CCC(OC5OC(C(=O)O)C(O)C(OC6OC(CO)C(O)C6O)C5OC5OC(CO)C(O)C(O)C5O)C(C)(C)C4CCC3(C)C1(C)C(O)C2O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Sapindaceae Dodonaea viscosa Roots 0.001976% J Nat Prod 72, 1705-1707 (2009) 10.1021/np900293x
Properties
HBA 22 HBD 11
HeavyAtoms 79 AlogP 1.29
TPSA 347.58 RotatableBonds 13
FractionCSP3 0.84 Rings 8
AromaticRings 0 AliphaticRings 8