TPCN04843

Name Abrusoside A
Molecular Formula C36H54O10
Molecular Weight 646.82
CAS Registry Number 124962-06-7
SMILES CC1=CCC(C(C)C2CCC3(C)C4CCC5C(C)(C(=O)O)C(OC6OC(CO)C(O)C(O)C6O)CCC56CC46CCC23C)OC1=O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Fabaceae Abrus precatorius Leaves 0.030000% J Nat Prod 52, 1118-1127 (1989) 10.1021/np50065a032
Fabaceae Abrus fruticulosus Leaves 0.028000% Planta Med. 1990. 56, 332-333. 10.1055/s-2006-960974.
Properties
HBA 10 HBD 5
HeavyAtoms 46 AlogP 3.57
TPSA 162.98 RotatableBonds 6
FractionCSP3 0.89 Rings 7
AromaticRings 0 AliphaticRings 7