Glycoside
GD032831
Name:
NoneFormula:
C19H23O9N7Smiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CNc2c(NC[C@@H]3O[C@H](O)[C@H](O)[C@H]3O)c(=O)c2=O)[C@H](O)[C@H]1OAglycone:
CNc1c(NC)c(=O)c1=O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.53 |
| AlogP: | -4.41 | Num_rotatable_bonds: | 7 |
| MolWt: | 493.43 | Num_heavy_atoms: | 35 |
| TPSA: | 247.43 | NumAromaticRings: | 3 |
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 |
AD21005
Formula: C6H8O2N2
Smiles:
CNc1c(NC)c(=O)c1=O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | -0.63 | Num_rotatable_bonds: | 2 |
| MolWt: | 140.14 | Num_heavy_atoms: | 10 |
| TPSA: | 58.2 | NumAromaticRings: | 1 |
