Glycoside
GD024041
Name:
NoneFormula:
C20H24O4N6Smiles:
CCNC(=O)[C@@H]1OC(n2cnc3c(N[C@H](C)c4ccccc4)ncnc32)[C@H](O)[C@H]1OAglycone:
CC(Nc1ncnc2c1N=C[N]2)c1ccccc1.CCNC=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.4 |
| AlogP: | 0.75 | Num_rotatable_bonds: | 6 |
| MolWt: | 412.45 | Num_heavy_atoms: | 30 |
| TPSA: | 134.42 | 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 |
AD04052
Formula: C13H12N5
Smiles:
CC(Nc1ncnc2c1N=C[N]2)c1ccccc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.15 |
| AlogP: | 2.56 | Num_rotatable_bonds: | 3 |
| MolWt: | 238.27 | Num_heavy_atoms: | 18 |
| TPSA: | 64.27 | NumAromaticRings: | 2 |
