Glycoside
GD002020
Name:
NoneFormula:
C20H19O5N6FSmiles:
CNC(=O)[C@@H]1O[C@H](n2cnc3c(NOC)nc(C#Cc4ccc(F)cc4)nc32)[C@H](O)[C@H]1OAglycone:
CONc1nc(C#Cc2ccc(F)cc2)nc2c1N=C[N]2Sugarmoiety:
CNC(=O)C1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.3 |
| AlogP: | -0.3 | Num_rotatable_bonds: | 4 |
| MolWt: | 442.41 | Num_heavy_atoms: | 32 |
| TPSA: | 143.65 | NumAromaticRings: | 3 |
Unique Aglycone
AD01966
Formula: C14H9ON5F
Smiles:
CONc1nc(C#Cc2ccc(F)cc2)nc2c1N=C[N]2| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.07 |
| AlogP: | 1.9 | Num_rotatable_bonds: | 2 |
| MolWt: | 282.26 | Num_heavy_atoms: | 21 |
| TPSA: | 73.5 | NumAromaticRings: | 2 |
