Glycoside
GD028985
Name:
NoneFormula:
C17H18O5N6S2Smiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSSCc2cccc([N+](=O)[O-])c2)[C@H](O)[C@H]1OAglycone:
CSSCc1cccc([N+](=O)[O-])c1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.35 |
| AlogP: | 1.52 | Num_rotatable_bonds: | 7 |
| MolWt: | 450.5 | Num_heavy_atoms: | 30 |
| TPSA: | 162.45 | 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 |
AD18894
Formula: C8H9O2NS2
Smiles:
CSSCc1cccc([N+](=O)[O-])c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.25 |
| AlogP: | 3.11 | Num_rotatable_bonds: | 4 |
| MolWt: | 215.3 | Num_heavy_atoms: | 13 |
| TPSA: | 43.14 | NumAromaticRings: | 1 |
