Glycoside
GD068060
Name:
NoneFormula:
C18H29O5N2Smiles:
OC[C@H]1O[C@@H](O)[C@H]([NH2+]C2CCN(Cc3ccccc3)CC2)[C@@H](O)[C@@H]1OAglycone:
[NH3+]C1CCN(Cc2ccccc2)CC1Sugarmoiety:
OCC1OC(O)C([OH2+])C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.67 |
| AlogP: | -1.99 | Num_rotatable_bonds: | 5 |
| MolWt: | 353.44 | Num_heavy_atoms: | 25 |
| TPSA: | 110.0 | NumAromaticRings: | 1 |
Unique Aglycone
AD32280
Formula: C12H19N2
Smiles:
[NH3+]C1CCN(Cc2ccccc2)CC1| HBA: | 2 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | 0.89 | Num_rotatable_bonds: | 2 |
| MolWt: | 191.3 | Num_heavy_atoms: | 14 |
| TPSA: | 30.88 | NumAromaticRings: | 1 |
