Glycoside
GD075894
Name:
NoneFormula:
C11H17O10N3SSmiles:
O=[N+]([O-])c1cccc(N[C@H]2[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)n1Aglycone:
COS(O)(O)O.Nc1cccc([N+](=O)[O-])n1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.55 |
| AlogP: | -0.64 | Num_rotatable_bonds: | 6 |
| MolWt: | 383.34 | Num_heavy_atoms: | 25 |
| TPSA: | 207.9 | NumAromaticRings: | 1 |
Unique Aglycone
AD12993
Formula: CH6O4S
Smiles:
COS(O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 0.77 | Num_rotatable_bonds: | 1 |
| MolWt: | 114.12 | Num_heavy_atoms: | 6 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
AD26644
Formula: C5H5O2N3
Smiles:
Nc1cccc([N+](=O)[O-])n1| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.57 | Num_rotatable_bonds: | 1 |
| MolWt: | 139.11 | Num_heavy_atoms: | 10 |
| TPSA: | 82.05 | NumAromaticRings: | 1 |
