TPCN04811

Name Abrusoside D
Molecular Formula C42H62O16
Molecular Weight 822.94
CAS Registry Number 125003-00-1
SMILES CC1=CCC(C(C)C2CCC3(C)C4CCC5C(C)(C(=O)O)C(OC6OC(C(=O)O)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 precatorius Leaves 0.053333% J Nat Prod 52, 1118-1127 (1989) 10.1021/np50065a032
Properties
HBA 16 HBD 8
HeavyAtoms 58 AlogP 1.49
TPSA 259.20 RotatableBonds 9
FractionCSP3 0.88 Rings 8
AromaticRings 0 AliphaticRings 8