Glycoside
GD057490
Name:
NoneFormula:
C13H18O5N6Smiles:
Cn1cc(Nc2c(C(N)=O)ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cn1Aglycone:
Cn1cc(NC2=C(C(N)=O)N=C[N]2)cn1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.46 |
| AlogP: | -1.93 | Num_rotatable_bonds: | 5 |
| MolWt: | 338.32 | Num_heavy_atoms: | 24 |
| TPSA: | 160.68 | NumAromaticRings: | 2 |
Unique Aglycone
AD28828
Formula: C8H9ON6
Smiles:
Cn1cc(NC2=C(C(N)=O)N=C[N]2)cn1| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | -0.87 | Num_rotatable_bonds: | 3 |
| MolWt: | 205.2 | Num_heavy_atoms: | 15 |
| TPSA: | 99.4 | NumAromaticRings: | 1 |
