Glycoside
GD030475
Name:
NoneFormula:
C19H17O3N5Cl2Smiles:
O[C@H]1[C@H](O)CO[C@@H]1Cn1cnc2c(NCc3cccc(Cl)c3)nc(Cl)nc21Aglycone:
Cn1cnc2c(NCc3cccc(Cl)c3)nc(Cl)nc21Sugarmoiety:
OC1COC(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.35 |
| AlogP: | 1.87 | Num_rotatable_bonds: | 5 |
| MolWt: | 410.26 | Num_heavy_atoms: | 27 |
| TPSA: | 105.32 | NumAromaticRings: | 3 |
Unique Aglycone
AD19721
Formula: C15H11N5Cl2
Smiles:
Cn1cnc2c(NCc3cccc(Cl)c3)nc(Cl)nc21| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.15 |
| AlogP: | 3.28 | Num_rotatable_bonds: | 3 |
| MolWt: | 308.17 | Num_heavy_atoms: | 20 |
| TPSA: | 55.63 | NumAromaticRings: | 3 |
