TPCN04841

Name Abrusostde C;Abrusoside C
Molecular Formula C42H64O15
Molecular Weight 808.96
CAS Registry Number 125002-99-5
SMILES CC1=CCC(C(C)C2CCC3(C)C4CCC5C(C)(C(=O)O)C(OC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)CCC56CC46CCC23C)OC1=O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Fabaceae Abrus fruticulosus Leaves 0.089600% Planta Med. 1990. 56, 332-333. 10.1055/s-2006-960974.
Fabaceae Abrus precatorius Leaves 0.036667% J Nat Prod 52, 1118-1127 (1989) 10.1021/np50065a032
Properties
HBA 15 HBD 8
HeavyAtoms 57 AlogP 1.40
TPSA 242.13 RotatableBonds 9
FractionCSP3 0.90 Rings 8
AromaticRings 0 AliphaticRings 8