Glycoside
GD004482
Name:
NoneFormula:
C13H15O4N7Smiles:
Nc1ncnc2c1c(-c1c[nH]nn1)cn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
Nc1ncnc2c1C(c1c[nH]nn1)=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.38 |
| AlogP: | -1.59 | Num_rotatable_bonds: | 3 |
| MolWt: | 333.31 | Num_heavy_atoms: | 24 |
| TPSA: | 168.22 | NumAromaticRings: | 3 |
Unique Aglycone
AD03908
Formula: C8H6N7
Smiles:
Nc1ncnc2c1C(c1c[nH]nn1)=C[N]2| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 200.19 | Num_heavy_atoms: | 15 |
| TPSA: | 107.47 | NumAromaticRings: | 2 |
