Glycoside
GD025221
Name:
NoneFormula:
C21H22O5N6Smiles:
CNC(=O)[C@@H]1O[C@H](n2cnc3c(NC)nc(C#Cc4ccc(OC)cc4)nc32)[C@H](O)[C@H]1OAglycone:
CNc1nc(C#Cc2ccc(OC)cc2)nc2c1N=C[N]2Sugarmoiety:
CNC(=O)C1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | -0.36 | Num_rotatable_bonds: | 4 |
| MolWt: | 438.44 | Num_heavy_atoms: | 32 |
| TPSA: | 143.65 | NumAromaticRings: | 3 |
Unique Aglycone
AD16750
Formula: C15H12ON5
Smiles:
CNc1nc(C#Cc2ccc(OC)cc2)nc2c1N=C[N]2| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.13 |
| AlogP: | 1.84 | Num_rotatable_bonds: | 2 |
| MolWt: | 278.29 | Num_heavy_atoms: | 21 |
| TPSA: | 73.5 | NumAromaticRings: | 2 |
