Glycoside
GD076164
Name:
NoneFormula:
C12H16O9N4SSmiles:
N#Cc1cnc(C(=O)N[C@H]2[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)cn1Aglycone:
COS(O)(O)O.N#Cc1cnc(C(N)=O)cn1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.5 |
| AlogP: | -1.96 | Num_rotatable_bonds: | 5 |
| MolWt: | 392.35 | Num_heavy_atoms: | 26 |
| TPSA: | 218.51 | 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 |
AD26712
Formula: C6H4ON4
Smiles:
N#Cc1cnc(C(N)=O)cn1| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.55 | Num_rotatable_bonds: | 1 |
| MolWt: | 148.12 | Num_heavy_atoms: | 11 |
| TPSA: | 92.66 | NumAromaticRings: | 1 |
