Glycoside
GD000742
Name:
NoneFormula:
C20H24O4N6Smiles:
CCNC(=O)[C@@H]1O[C@H](n2cnc3c(N)nc(C#CC4=CCCCC4)nc32)[C@H](O)[C@H]1OAglycone:
CCNC=O.Nc1nc(C#CC2=CCCCC2)nc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | 0.02 | Num_rotatable_bonds: | 3 |
| MolWt: | 412.45 | Num_heavy_atoms: | 30 |
| TPSA: | 148.41 | NumAromaticRings: | 2 |
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 |
AD00791
Formula: C13H12N5
Smiles:
Nc1nc(C#CC2=CCCCC2)nc2c1N=C[N]2| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.31 |
| AlogP: | 1.82 | Num_rotatable_bonds: | 0 |
| MolWt: | 238.27 | Num_heavy_atoms: | 18 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
