Glycoside
GD093886
Name:
NoneFormula:
C21H29O6N6Smiles:
C[NH+]1CCN(C(=O)c2ccc(Nc3c(C(N)=O)ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)CC1Aglycone:
C[NH+]1CCN(C(=O)c2ccc(NC3=C(C(N)=O)N=C[N]3)cc2)CC1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.48 |
| AlogP: | -2.69 | Num_rotatable_bonds: | 6 |
| MolWt: | 461.5 | Num_heavy_atoms: | 33 |
| TPSA: | 167.61 | NumAromaticRings: | 2 |
Unique Aglycone
AD40475
Formula: C16H20O2N6
Smiles:
C[NH+]1CCN(C(=O)c2ccc(NC3=C(C(N)=O)N=C[N]3)cc2)CC1| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.31 |
| AlogP: | -1.63 | Num_rotatable_bonds: | 4 |
| MolWt: | 328.38 | Num_heavy_atoms: | 24 |
| TPSA: | 106.33 | NumAromaticRings: | 1 |
