Glycoside
GD077996
Name:
NoneFormula:
C19H21O5N5Smiles:
CC(=O)Nc1ccccc1Nc1ncnc2c1ccn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OAglycone:
CC(=O)Nc1ccccc1Nc1ncnc2c1C=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.32 |
| AlogP: | 0.74 | Num_rotatable_bonds: | 5 |
| MolWt: | 399.41 | Num_heavy_atoms: | 29 |
| TPSA: | 141.76 | NumAromaticRings: | 3 |
Unique Aglycone
AD35749
Formula: C14H12ON5
Smiles:
CC(=O)Nc1ccccc1Nc1ncnc2c1C=C[N]2| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.07 |
| AlogP: | 2.4 | Num_rotatable_bonds: | 3 |
| MolWt: | 266.28 | Num_heavy_atoms: | 20 |
| TPSA: | 81.01 | NumAromaticRings: | 2 |
