Glycoside
GD061454
Name:
NoneFormula:
C16H27O5N2Smiles:
Cc1ccc(N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)c(C[NH+](C)C)c1Aglycone:
Cc1ccc(N)c(C[NH+](C)C)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.62 |
| AlogP: | -2.15 | Num_rotatable_bonds: | 5 |
| MolWt: | 327.4 | Num_heavy_atoms: | 23 |
| TPSA: | 106.62 | NumAromaticRings: | 1 |
Unique Aglycone
AD30141
Formula: C10H17N2
Smiles:
Cc1ccc(N)c(C[NH+](C)C)c1| HBA: | 2 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.4 |
| AlogP: | 0.22 | Num_rotatable_bonds: | 2 |
| MolWt: | 165.26 | Num_heavy_atoms: | 12 |
| TPSA: | 30.46 | NumAromaticRings: | 1 |
