Glycoside
GD036998
Name:
NoneFormula:
C18H18O3N5ClSmiles:
O[C@H]1[C@H](O)CO[C@@H]1Cn1cnc2c(NCc3cccc(Cl)c3)ncnc21Aglycone:
Cn1cnc2c(NCc3cccc(Cl)c3)ncnc21Sugarmoiety:
OC1COC(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.35 |
| AlogP: | 1.21 | Num_rotatable_bonds: | 5 |
| MolWt: | 375.82 | Num_heavy_atoms: | 26 |
| TPSA: | 105.32 | NumAromaticRings: | 3 |
Unique Aglycone
AD23334
Formula: C14H12N5Cl
Smiles:
Cn1cnc2c(NCc3cccc(Cl)c3)ncnc21| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.15 |
| AlogP: | 2.63 | Num_rotatable_bonds: | 3 |
| MolWt: | 273.73 | Num_heavy_atoms: | 19 |
| TPSA: | 55.63 | NumAromaticRings: | 3 |
