Glycoside
GD036938
Name:
NoneFormula:
C18H18O5N5ClSmiles:
COc1cc(-c2nn([C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)c3ncnc(N)c23)ccc1ClAglycone:
COc1cc(C2=N[N]c3ncnc(N)c32)ccc1ClSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.35 |
| AlogP: | 0.35 | Num_rotatable_bonds: | 4 |
| MolWt: | 407.81 | Num_heavy_atoms: | 28 |
| TPSA: | 148.77 | NumAromaticRings: | 3 |
Unique Aglycone
AD23288
Formula: C13H9ON5Cl
Smiles:
COc1cc(C2=N[N]c3ncnc(N)c32)ccc1Cl| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.08 |
| AlogP: | 1.72 | Num_rotatable_bonds: | 2 |
| MolWt: | 274.69 | Num_heavy_atoms: | 19 |
| TPSA: | 87.49 | NumAromaticRings: | 2 |
