Glycoside
GD033156
Name:
NoneFormula:
C22H24O5N6Smiles:
CCNC(=O)[C@@H]1O[C@H](n2cnc3c(NC)nc(C#C[C@H](O)c4ccccc4)nc32)[C@H](O)[C@H]1OAglycone:
CCNC=O.CNc1nc(C#CC(O)c2ccccc2)nc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.36 |
| AlogP: | -0.29 | Num_rotatable_bonds: | 5 |
| MolWt: | 452.47 | Num_heavy_atoms: | 33 |
| TPSA: | 154.65 | NumAromaticRings: | 3 |
Unique Aglycone
AD00170
Formula: C3H7ON
Smiles:
CCNC=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 2 |
| MolWt: | 73.09 | Num_heavy_atoms: | 5 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
AD02246
Formula: C15H12ON5
Smiles:
CNc1nc(C#CC(O)c2ccccc2)nc2c1N=C[N]2| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.13 |
| AlogP: | 1.51 | Num_rotatable_bonds: | 2 |
| MolWt: | 278.3 | Num_heavy_atoms: | 21 |
| TPSA: | 84.5 | NumAromaticRings: | 2 |
