Glycoside
GD082572
Name:
NoneFormula:
C12H25O11N3SSmiles:
CC1C(N[C@H]2[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)N(O)CCC1[N+](=O)[O-]Aglycone:
CC1C(N)N(O)CCC1[N+](=O)[O-].COS(O)(O)OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 1.0 |
| AlogP: | -1.76 | Num_rotatable_bonds: | 6 |
| MolWt: | 419.41 | Num_heavy_atoms: | 27 |
| TPSA: | 218.48 | NumAromaticRings: | 0 |
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 |
AD29125
Formula: C6H13O3N3
Smiles:
CC1C(N)N(O)CCC1[N+](=O)[O-]| HBA: | 6 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.35 | Num_rotatable_bonds: | 1 |
| MolWt: | 175.19 | Num_heavy_atoms: | 12 |
| TPSA: | 92.63 | NumAromaticRings: | 0 |
