Glycoside
GD019597
Name:
NoneFormula:
C13H18O4N8Smiles:
CCNC(=O)[C@@H]1O[C@H](n2cnc3c(NC(=N)N)ncnc32)[C@H](O)[C@H]1OAglycone:
CCNC=O.N=C(N)Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.46 |
| AlogP: | -2.11 | Num_rotatable_bonds: | 4 |
| MolWt: | 350.34 | Num_heavy_atoms: | 25 |
| TPSA: | 184.29 | 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 |
AD03666
Formula: C6H6N7
Smiles:
N=C(N)Nc1ncnc2c1N=C[N]2| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | -0.31 | Num_rotatable_bonds: | 1 |
| MolWt: | 176.16 | Num_heavy_atoms: | 13 |
| TPSA: | 114.14 | NumAromaticRings: | 1 |
