Glycoside
GD017741
Name:
NoneFormula:
C19H28O9N8Smiles:
N=C(N)NCc1cn(C[C@@H]2O[C@H](OC[C@@H]3O[C@H](Cn4ccc(=O)[nH]c4=O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)nn1Aglycone:
Cn1cc(CNC(=N)N)nn1.Cn1ccc(=O)[nH]c1=OSugarmoiety:
OC1OC(COC2OC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.63 |
| AlogP: | -5.24 | Num_rotatable_bonds: | 9 |
| MolWt: | 512.48 | Num_heavy_atoms: | 36 |
| TPSA: | 256.08 | NumAromaticRings: | 2 |
Unique Aglycone
AD00607
Formula: C5H6O2N2
Smiles:
Cn1ccc(=O)[nH]c1=O| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.2 |
| AlogP: | -0.93 | Num_rotatable_bonds: | 0 |
| MolWt: | 126.11 | Num_heavy_atoms: | 9 |
| TPSA: | 54.86 | NumAromaticRings: | 1 |
AD12629
Formula: C5H10N6
Smiles:
Cn1cc(CNC(=N)N)nn1| HBA: | 6 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.4 |
| AlogP: | -1.2 | Num_rotatable_bonds: | 2 |
| MolWt: | 154.18 | Num_heavy_atoms: | 11 |
| TPSA: | 92.61 | NumAromaticRings: | 1 |
