Glycoside
GD030572
Name:
NoneFormula:
C19H21O6N7Smiles:
CCNC(=O)[C@@H]1O[C@H](n2cnc3c(N)[n+](Cc4ccccc4[N+](=O)[O-])cnc32)[C@H](O)[C@H]1[O-]Aglycone:
CCNC=O.Nc1c2c(nc[n+]1Cc1ccccc1[N+](=O)[O-])[N]C=N2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.37 |
| AlogP: | -1.62 | Num_rotatable_bonds: | 6 |
| MolWt: | 443.42 | Num_heavy_atoms: | 32 |
| TPSA: | 185.37 | NumAromaticRings: | 3 |
Unique Aglycone
AD00170
Formula: C3H7ON
Smiles:
CCNC=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 2 |
| MolWt: | 73.09 | Num_heavy_atoms: | 5 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
AD19780
Formula: C12H10O2N6
Smiles:
Nc1c2c(nc[n+]1Cc1ccccc1[N+](=O)[O-])[N]C=N2| HBA: | 8 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.08 |
| AlogP: | 0.82 | Num_rotatable_bonds: | 3 |
| MolWt: | 270.25 | Num_heavy_atoms: | 20 |
| TPSA: | 112.39 | NumAromaticRings: | 2 |
