Glycoside
GD029673
Name:
NoneFormula:
C18H20O5N4Smiles:
Cc1nn(C2O[C@H](CO)[C@H](O)[C@H]2O)c2c(=O)n(Cc3ccccc3)cnc12Aglycone:
CC1=N[N]c2c1ncn(Cc1ccccc1)c2=OSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.39 |
| AlogP: | -0.44 | Num_rotatable_bonds: | 4 |
| MolWt: | 372.38 | Num_heavy_atoms: | 27 |
| TPSA: | 122.63 | NumAromaticRings: | 3 |
Unique Aglycone
AD19280
Formula: C13H11ON4
Smiles:
CC1=N[N]c2c1ncn(Cc1ccccc1)c2=O| HBA: | 5 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.15 |
| AlogP: | 1.27 | Num_rotatable_bonds: | 2 |
| MolWt: | 239.26 | Num_heavy_atoms: | 18 |
| TPSA: | 61.35 | NumAromaticRings: | 2 |
