Glycoside
GD015483
Name:
NoneFormula:
C17H17O6N5SSmiles:
O=[N+]([O-])c1ccc(CSC[C@@H]2OC(n3cnc4c(O)ncnc43)[C@H](O)[C@H]2O)cc1Aglycone:
CSCc1ccc([N+](=O)[O-])cc1.Oc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.35 |
| AlogP: | 0.99 | Num_rotatable_bonds: | 6 |
| MolWt: | 419.42 | Num_heavy_atoms: | 29 |
| TPSA: | 156.66 | NumAromaticRings: | 3 |
Unique Aglycone
AD00956
Formula: C5H3ON4
Smiles:
Oc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 0.09 | Num_rotatable_bonds: | 0 |
| MolWt: | 135.11 | Num_heavy_atoms: | 10 |
| TPSA: | 72.47 | NumAromaticRings: | 1 |
AD11244
Formula: C8H9O2NS
Smiles:
CSCc1ccc([N+](=O)[O-])cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.25 |
| AlogP: | 2.46 | Num_rotatable_bonds: | 3 |
| MolWt: | 183.23 | Num_heavy_atoms: | 12 |
| TPSA: | 43.14 | NumAromaticRings: | 1 |
