Glycoside
GD098021
Name:
NoneFormula:
C21H28O6N6Smiles:
CC(=O)N1CCN(c2ccc(Nc3c(C(N)=O)ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)CC1Aglycone:
CC(=O)N1CCN(c2ccc(NC3=C(C(N)=O)N=C[N]3)cc2)CC1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.48 |
| AlogP: | -0.99 | Num_rotatable_bonds: | 6 |
| MolWt: | 460.49 | Num_heavy_atoms: | 33 |
| TPSA: | 166.41 | NumAromaticRings: | 2 |
Unique Aglycone
AD41705
Formula: C16H19O2N6
Smiles:
CC(=O)N1CCN(c2ccc(NC3=C(C(N)=O)N=C[N]3)cc2)CC1| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.31 |
| AlogP: | 0.07 | Num_rotatable_bonds: | 4 |
| MolWt: | 327.37 | Num_heavy_atoms: | 24 |
| TPSA: | 105.13 | NumAromaticRings: | 1 |
