Glycoside
GD023955
Name:
NoneFormula:
C18H20O3N8SSmiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CNCc2cccn2-c2nccs2)[C@H](O)[C@H]1OAglycone:
CNCc1cccn1-c1nccs1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | 0.06 | Num_rotatable_bonds: | 6 |
| MolWt: | 428.48 | Num_heavy_atoms: | 30 |
| TPSA: | 149.16 | NumAromaticRings: | 4 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD16055
Formula: C9H11N3S
Smiles:
CNCc1cccn1-c1nccs1| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 1.65 | Num_rotatable_bonds: | 3 |
| MolWt: | 193.27 | Num_heavy_atoms: | 13 |
| TPSA: | 29.85 | NumAromaticRings: | 2 |
