Glycoside
GD030157
Name:
NoneFormula:
C25H27O6N7Smiles:
NC(=O)COc1cc(CNc2nc3c(N)ncnc3n2[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)ccc1-c1ccccc1Aglycone:
NC(=O)COc1cc(CNC2=Nc3c(N)ncnc3[N]2)ccc1-c1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.28 |
| AlogP: | 0.16 | Num_rotatable_bonds: | 9 |
| MolWt: | 521.53 | Num_heavy_atoms: | 38 |
| TPSA: | 203.89 | NumAromaticRings: | 4 |
Unique Aglycone
AD19531
Formula: C20H18O2N7
Smiles:
NC(=O)COc1cc(CNC2=Nc3c(N)ncnc3[N]2)ccc1-c1ccccc1| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.1 |
| AlogP: | 1.62 | Num_rotatable_bonds: | 6 |
| MolWt: | 388.41 | Num_heavy_atoms: | 29 |
| TPSA: | 142.61 | NumAromaticRings: | 3 |
