Glycoside
GD067893
Name:
NoneFormula:
C17H18O6N4Smiles:
COc1ccc(-n2cnc3c(cnn3[C@H]3O[C@@H](CO)[C@@H](O)[C@H]3O)c2=O)cc1Aglycone:
COc1ccc(-n2cnc3c(c2=O)C=N[N]3)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.35 |
| AlogP: | -0.8 | Num_rotatable_bonds: | 4 |
| MolWt: | 374.35 | Num_heavy_atoms: | 27 |
| TPSA: | 131.86 | NumAromaticRings: | 3 |
Unique Aglycone
AD32243
Formula: C12H9O2N4
Smiles:
COc1ccc(-n2cnc3c(c2=O)C=N[N]3)cc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.08 |
| AlogP: | 0.82 | Num_rotatable_bonds: | 2 |
| MolWt: | 241.23 | Num_heavy_atoms: | 18 |
| TPSA: | 70.58 | NumAromaticRings: | 2 |
