Glycoside
GD062840
Name:
NoneFormula:
C13H14O6N6Smiles:
Nc1ncnc2c1c1c(=O)[nH]c(=O)[nH]c1n2[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1OAglycone:
Nc1ncnc2c1-c1c([nH]c(=O)[nH]c1=O)[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.38 |
| AlogP: | -2.85 | Num_rotatable_bonds: | 2 |
| MolWt: | 350.29 | Num_heavy_atoms: | 25 |
| TPSA: | 192.37 | NumAromaticRings: | 3 |
Unique Aglycone
AD01833
Formula: C8H5O2N6
Smiles:
Nc1ncnc2c1-c1c([nH]c(=O)[nH]c1=O)[N]2| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | -1.02 | Num_rotatable_bonds: | 0 |
| MolWt: | 217.17 | Num_heavy_atoms: | 16 |
| TPSA: | 131.62 | NumAromaticRings: | 2 |
