Glycoside
GD071814
Name:
NoneFormula:
C17H27O6N4Smiles:
C[NH+]1CCN(C(=O)c2ccnc(N[C@H]3[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]3O)c2)CC1Aglycone:
C[NH+]1CCN(C(=O)c2ccnc(N)c2)CC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.65 |
| AlogP: | -3.74 | Num_rotatable_bonds: | 4 |
| MolWt: | 383.43 | Num_heavy_atoms: | 27 |
| TPSA: | 139.82 | NumAromaticRings: | 1 |
Unique Aglycone
AD33730
Formula: C11H17ON4
Smiles:
C[NH+]1CCN(C(=O)c2ccnc(N)c2)CC1| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.45 |
| AlogP: | -1.37 | Num_rotatable_bonds: | 1 |
| MolWt: | 221.28 | Num_heavy_atoms: | 16 |
| TPSA: | 63.66 | NumAromaticRings: | 1 |
