Glycoside
GD037427
Name:
NoneFormula:
C23H30O5N8SSmiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCCNCC2Cc3ccc([N+](=O)[O-])cc3CN2)[C@H](O)[C@H]1OAglycone:
CSCCCNCC1Cc2ccc([N+](=O)[O-])cc2CN1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.52 |
| AlogP: | 0.36 | Num_rotatable_bonds: | 10 |
| MolWt: | 530.61 | Num_heavy_atoms: | 37 |
| TPSA: | 186.51 | 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 |
AD23581
Formula: C14H21O2N3S
Smiles:
CSCCCNCC1Cc2ccc([N+](=O)[O-])cc2CN1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.57 |
| AlogP: | 1.95 | Num_rotatable_bonds: | 7 |
| MolWt: | 295.41 | Num_heavy_atoms: | 20 |
| TPSA: | 67.2 | NumAromaticRings: | 1 |
