Glycoside
GD072564
Name:
NoneFormula:
C16H21O6N5Smiles:
COCc1cncc(Nc2c(C(N)=O)ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1Aglycone:
COCc1cncc(NC2=C(C(N)=O)N=C[N]2)c1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.44 |
| AlogP: | -1.12 | Num_rotatable_bonds: | 7 |
| MolWt: | 379.37 | Num_heavy_atoms: | 27 |
| TPSA: | 164.98 | NumAromaticRings: | 2 |
Unique Aglycone
AD33815
Formula: C11H12O2N5
Smiles:
COCc1cncc(NC2=C(C(N)=O)N=C[N]2)c1| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.18 |
| AlogP: | -0.06 | Num_rotatable_bonds: | 5 |
| MolWt: | 246.25 | Num_heavy_atoms: | 18 |
| TPSA: | 103.7 | NumAromaticRings: | 1 |
