TPCN05939

Name Entadoside D
Molecular Formula C72H115NO37
Molecular Weight 1586.68
CAS Registry Number 1426161-99-0
SMILES CC(=O)NC1C(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(C(=O)OC5OC(CO)C(O)C(O)C5OC5OCC(O)(COC6OCC(O)(CO)C6O)C5O)C(O)C(O)C34C)C2(C)C)OC(COC2OC(COC(C)=O)C(O)C(OC3OCC(O)C(O)C3O)C2O)C(O)C1OC1OCC(O)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Fabaceae Entada phaseoloides Seeds 0.011966% J Nat Med . 2012 Apr;66(2):321-8 10.1007/s11418-011-0591-1
Properties
HBA 38 HBD 20
HeavyAtoms 110 AlogP -7.35
TPSA 586.06 RotatableBonds 21
FractionCSP3 0.93 Rings 12
AromaticRings 0 AliphaticRings 12