Glycoside
GD030897
Name:
NoneFormula:
C18H17O4N4ClSmiles:
Nc1ncnc2c1c(-c1cccc(Cl)c1)cn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
Nc1ncnc2c1C(c1cccc(Cl)c1)=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.29 |
| AlogP: | 0.95 | Num_rotatable_bonds: | 3 |
| MolWt: | 376.8 | Num_heavy_atoms: | 26 |
| TPSA: | 126.65 | NumAromaticRings: | 3 |
Unique Aglycone
AD19970
Formula: C13H8N4Cl
Smiles:
Nc1ncnc2c1C(c1cccc(Cl)c1)=C[N]2| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.35 | Num_rotatable_bonds: | 1 |
| MolWt: | 243.68 | Num_heavy_atoms: | 17 |
| TPSA: | 65.9 | NumAromaticRings: | 2 |
