Glycoside
GD058397
Name:
NoneFormula:
C17H27O5N2Smiles:
O=C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C1)[C@@H](O)[C@H](O)[C@H](O)COAglycone:
[NH3+]C1CCN(Cc2ccccc2)C1Sugarmoiety:
O=CC([OH2+])C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.59 |
| AlogP: | -2.53 | Num_rotatable_bonds: | 9 |
| MolWt: | 339.41 | Num_heavy_atoms: | 24 |
| TPSA: | 117.84 | NumAromaticRings: | 1 |
Unique Aglycone
AD29200
Formula: C11H17N2
Smiles:
[NH3+]C1CCN(Cc2ccccc2)C1| HBA: | 2 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.45 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 2 |
| MolWt: | 177.27 | Num_heavy_atoms: | 13 |
| TPSA: | 30.88 | NumAromaticRings: | 1 |
