Glycoside
GD002089
Name:
NoneFormula:
C19H20O5N5ClSmiles:
Nc1nc(OCCc2cccc(Cl)c2)nc2c1ncn2C1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
Nc1nc(OCCc2cccc(Cl)c2)nc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.39 |
| AlogP: | 0.29 | Num_rotatable_bonds: | 6 |
| MolWt: | 421.84 | Num_heavy_atoms: | 29 |
| TPSA: | 148.77 | NumAromaticRings: | 3 |
Unique Aglycone
AD02026
Formula: C14H11ON5Cl
Smiles:
Nc1nc(OCCc2cccc(Cl)c2)nc2c1N=C[N]2| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.15 |
| AlogP: | 2.24 | Num_rotatable_bonds: | 4 |
| MolWt: | 288.72 | Num_heavy_atoms: | 20 |
| TPSA: | 87.49 | NumAromaticRings: | 2 |
