Glycoside
GD022537
Name:
NoneFormula:
C18H17O6N6ClSmiles:
O=[N+]([O-])c1cc(Cl)ccc1CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
O=[N+]([O-])c1cc(Cl)ccc1CNc1ncnc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.35 |
| AlogP: | 0.61 | Num_rotatable_bonds: | 6 |
| MolWt: | 436.81 | Num_heavy_atoms: | 30 |
| TPSA: | 168.69 | NumAromaticRings: | 3 |
Unique Aglycone
AD15265
Formula: C13H8O2N6Cl
Smiles:
O=[N+]([O-])c1cc(Cl)ccc1CNc1ncnc2c1N=C[N]2| HBA: | 8 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 2.56 | Num_rotatable_bonds: | 4 |
| MolWt: | 303.69 | Num_heavy_atoms: | 21 |
| TPSA: | 107.41 | NumAromaticRings: | 2 |
