Glycoside
GD078121
Name:
NoneFormula:
C18H21O5N5Smiles:
Cc1ccc(Nc2ncnc3c2[nH]c(=O)n3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1CAglycone:
Cc1ccc(Nc2ncnc3[nH]c(=O)[nH]c23)cc1CSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.39 |
| AlogP: | 0.09 | Num_rotatable_bonds: | 4 |
| MolWt: | 387.4 | Num_heavy_atoms: | 28 |
| TPSA: | 145.52 | NumAromaticRings: | 3 |
Unique Aglycone
AD35818
Formula: C13H13ON5
Smiles:
Cc1ccc(Nc2ncnc3[nH]c(=O)[nH]c23)cc1C| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.15 |
| AlogP: | 2.01 | Num_rotatable_bonds: | 2 |
| MolWt: | 255.28 | Num_heavy_atoms: | 19 |
| TPSA: | 86.46 | NumAromaticRings: | 3 |
