Glycoside
GD009210
Name:
NoneFormula:
C19H19O5N5Smiles:
COc1cccc(-c2c(C#N)c3c(N)ncnc3n2[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c1Aglycone:
COc1cccc(C2=C(C#N)c3c(N)ncnc3[N]2)c1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.32 |
| AlogP: | 0.17 | Num_rotatable_bonds: | 4 |
| MolWt: | 397.39 | Num_heavy_atoms: | 29 |
| TPSA: | 159.67 | NumAromaticRings: | 3 |
Unique Aglycone
AD07243
Formula: C14H10ON5
Smiles:
COc1cccc(C2=C(C#N)c3c(N)ncnc3[N]2)c1| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.07 |
| AlogP: | 1.71 | Num_rotatable_bonds: | 2 |
| MolWt: | 264.27 | Num_heavy_atoms: | 20 |
| TPSA: | 98.92 | NumAromaticRings: | 2 |
