TPCN05992
Name | Entadoside C |
Molecular Formula | C70H113NO36 |
Molecular Weight | 1544.65 |
CAS Registry Number | 1431563-60-8 |
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(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 | 0.003932% | 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 | 20 |
FractionCSP3 | 0.94 | Rings | 12 |
AromaticRings | 0 | AliphaticRings | 12 |