Glycoside
GD001456
Name:
NoneFormula:
C13H16O6N4Smiles:
C[C@]1(O)[C@H](O)[C@H](CO)O[C@H]1n1cc(C(=O)O)c2c(N)ncnc21Aglycone:
Nc1ncnc2c1C(C(=O)O)=C[N]2Sugarmoiety:
CC1(O)C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.46 |
| AlogP: | -1.29 | Num_rotatable_bonds: | 3 |
| MolWt: | 324.29 | Num_heavy_atoms: | 23 |
| TPSA: | 163.95 | NumAromaticRings: | 2 |
Unique Aglycone
AD01459
Formula: C7H5O2N4
Smiles:
Nc1ncnc2c1C(C(=O)O)=C[N]2| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 1 |
| MolWt: | 177.14 | Num_heavy_atoms: | 13 |
| TPSA: | 103.2 | NumAromaticRings: | 1 |
