Glycoside
GD071548
Name:
NoneFormula:
C18H27O6N3Smiles:
O=C(N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)C1CCN(Cc2ccccn2)CC1Aglycone:
NC(=O)C1CCN(Cc2ccccn2)CC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.67 |
| AlogP: | -1.79 | Num_rotatable_bonds: | 5 |
| MolWt: | 381.43 | Num_heavy_atoms: | 27 |
| TPSA: | 135.38 | NumAromaticRings: | 1 |
Unique Aglycone
AD33622
Formula: C12H17ON3
Smiles:
NC(=O)C1CCN(Cc2ccccn2)CC1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 0.78 | Num_rotatable_bonds: | 3 |
| MolWt: | 219.29 | Num_heavy_atoms: | 16 |
| TPSA: | 59.22 | NumAromaticRings: | 1 |
