Glycoside
GD090476
Name:
NoneFormula:
C21H24O5N6Smiles:
CC(=O)Nc1cccc2c1CCN(c1ncnc3c1ncn3[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C2Aglycone:
CC(=O)Nc1cccc2c1CCN(c1ncnc3c1N=C[N]3)C2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.43 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 4 |
| MolWt: | 440.46 | Num_heavy_atoms: | 32 |
| TPSA: | 145.86 | NumAromaticRings: | 3 |
Unique Aglycone
AD39359
Formula: C16H15ON6
Smiles:
CC(=O)Nc1cccc2c1CCN(c1ncnc3c1N=C[N]3)C2| HBA: | 7 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 1.91 | Num_rotatable_bonds: | 2 |
| MolWt: | 307.34 | Num_heavy_atoms: | 23 |
| TPSA: | 84.58 | NumAromaticRings: | 2 |
