Glycoside
GD022639
Name:
NoneFormula:
C22H22O5N6Smiles:
CNC(=O)[C@@H]1O[C@H](n2cnc3c(NC)nc(C#Cc4ccc(C(C)=O)cc4)nc32)[C@H](O)[C@H]1OAglycone:
CNc1nc(C#Cc2ccc(C(C)=O)cc2)nc2c1N=C[N]2Sugarmoiety:
CNC(=O)C1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.32 |
| AlogP: | -0.16 | Num_rotatable_bonds: | 4 |
| MolWt: | 450.46 | Num_heavy_atoms: | 33 |
| TPSA: | 151.49 | NumAromaticRings: | 3 |
Unique Aglycone
AD15324
Formula: C16H12ON5
Smiles:
CNc1nc(C#Cc2ccc(C(C)=O)cc2)nc2c1N=C[N]2| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 2.03 | Num_rotatable_bonds: | 2 |
| MolWt: | 290.31 | Num_heavy_atoms: | 22 |
| TPSA: | 81.34 | NumAromaticRings: | 2 |
