TPCN05931

Name Entadoside A
Molecular Formula C70H113NO36
Molecular Weight 1544.65
CAS Registry Number 1431563-56-2
SMILES CC(=O)NC1C(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(C(=O)OC5OC(CO)C(O)C(O)C5OC5OCC(O)C(OC6OCC(O)(CO)C6O)C5O)C(O)C(O)C34C)C2(C)C)OC(COC2OC(CO)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 0.015556% J Nat Med . 2012 Apr;66(2):321-8 10.1007/s11418-011-0591-1
Properties
HBA 37 HBD 21
HeavyAtoms 107 AlogP -7.92
TPSA 579.99 RotatableBonds 19
FractionCSP3 0.94 Rings 12
AromaticRings 0 AliphaticRings 12