TPCN05121

Name Dodoneasides B
Molecular Formula C57H88O22
Molecular Weight 1125.31
CAS Registry Number 1186496-76-3
SMILES CC=C(C)C(=O)OC1C(OC(=O)C2(C)OC2C)C(C)(C)CC2C3=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(OC7OC(CO)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C3(C)CC(O)C21C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Sapindaceae Dodonaea viscosa Roots 0.000356% J Nat Prod 72, 1705-1707 (2009) 10.1021/np900293x
Properties
HBA 22 HBD 10
HeavyAtoms 79 AlogP 1.53
TPSA 339.88 RotatableBonds 13
FractionCSP3 0.88 Rings 9
AromaticRings 0 AliphaticRings 9