Glycoside
GD008920
Name:
NoneFormula:
C21H25O6N11Smiles:
CCn1nnc([C@@H]2O[C@H](n3cnc4c(N)nc(N[C@H](CO)Cc5ccc([N+](=O)[O-])cc5)nc43)[C@H](O)[C@H]2O)n1Aglycone:
CCn1ncnn1.Nc1nc(NC(CO)Cc2ccc([N+](=O)[O-])cc2)nc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.43 |
| AlogP: | -0.67 | Num_rotatable_bonds: | 9 |
| MolWt: | 527.5 | Num_heavy_atoms: | 38 |
| TPSA: | 238.31 | NumAromaticRings: | 4 |
Unique Aglycone
AD00166
Formula: C3H6N4
Smiles:
CCn1ncnn1| HBA: | 4 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | -0.31 | Num_rotatable_bonds: | 1 |
| MolWt: | 98.11 | Num_heavy_atoms: | 7 |
| TPSA: | 43.6 | NumAromaticRings: | 1 |
AD07064
Formula: C14H14O3N7
Smiles:
Nc1nc(NC(CO)Cc2ccc([N+](=O)[O-])cc2)nc2c1N=C[N]2| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.21 |
| AlogP: | 0.89 | Num_rotatable_bonds: | 6 |
| MolWt: | 328.31 | Num_heavy_atoms: | 24 |
| TPSA: | 153.66 | NumAromaticRings: | 2 |
