Glycoside
GD088835
Name:
NoneFormula:
C13H21O11N3SSmiles:
CCOc1nc(N[C@H]2[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)ccc1[N+](=O)[O-]Aglycone:
CCOc1nc(N)ccc1[N+](=O)[O-].COS(O)(O)OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.62 |
| AlogP: | -0.24 | Num_rotatable_bonds: | 8 |
| MolWt: | 427.39 | Num_heavy_atoms: | 28 |
| TPSA: | 217.13 | 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 |
AD29121
Formula: C7H9O3N3
Smiles:
CCOc1nc(N)ccc1[N+](=O)[O-]| HBA: | 6 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.29 |
| AlogP: | 0.97 | Num_rotatable_bonds: | 3 |
| MolWt: | 183.17 | Num_heavy_atoms: | 13 |
| TPSA: | 91.28 | NumAromaticRings: | 1 |
