Glycoside
GD100379
Name:
NoneFormula:
C23H29O5N6Smiles:
C[NH+]1CCN(C(=O)c2cccc(Nc3ncnc4c3ccn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2)CC1Aglycone:
C[NH+]1CCN(C(=O)c2cccc(Nc3ncnc4c3C=C[N]4)c2)CC1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.43 |
| AlogP: | -1.24 | Num_rotatable_bonds: | 5 |
| MolWt: | 469.52 | Num_heavy_atoms: | 34 |
| TPSA: | 137.41 | NumAromaticRings: | 3 |
Unique Aglycone
AD42415
Formula: C18H20ON6
Smiles:
C[NH+]1CCN(C(=O)c2cccc(Nc3ncnc4c3C=C[N]4)c2)CC1| HBA: | 7 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.28 |
| AlogP: | 0.41 | Num_rotatable_bonds: | 3 |
| MolWt: | 336.4 | Num_heavy_atoms: | 25 |
| TPSA: | 76.66 | NumAromaticRings: | 2 |
