Glycoside
GD018645
Name:
NoneFormula:
C20H20O5N6Smiles:
CNC(=O)[C@@H]1O[C@H](n2cnc3c(NOC)nc(C#Cc4ccccc4)nc32)[C@H](O)[C@H]1OAglycone:
CONc1nc(C#Cc2ccccc2)nc2c1N=C[N]2Sugarmoiety:
CNC(=O)C1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.3 |
| AlogP: | -0.44 | Num_rotatable_bonds: | 4 |
| MolWt: | 424.42 | Num_heavy_atoms: | 31 |
| TPSA: | 143.65 | NumAromaticRings: | 3 |
Unique Aglycone
AD13120
Formula: C14H10ON5
Smiles:
CONc1nc(C#Cc2ccccc2)nc2c1N=C[N]2| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.07 |
| AlogP: | 1.76 | Num_rotatable_bonds: | 2 |
| MolWt: | 264.27 | Num_heavy_atoms: | 20 |
| TPSA: | 73.5 | NumAromaticRings: | 2 |
