Glycoside
GD032164
Name:
NoneFormula:
C18H23O5N7Smiles:
CCCCNc1c(NC[C@@H]2O[C@H](n3cnc4c(N)ncnc43)[C@H](O)[C@H]2O)c(=O)c1=OAglycone:
CCCCNc1c(NC)c(=O)c1=O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | -1.05 | Num_rotatable_bonds: | 8 |
| MolWt: | 417.43 | Num_heavy_atoms: | 30 |
| TPSA: | 177.51 | 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 |
AD20651
Formula: C9H14O2N2
Smiles:
CCCCNc1c(NC)c(=O)c1=O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.56 |
| AlogP: | 0.54 | Num_rotatable_bonds: | 5 |
| MolWt: | 182.22 | Num_heavy_atoms: | 13 |
| TPSA: | 58.2 | NumAromaticRings: | 1 |
