Glycoside
GD094686
Name:
NoneFormula:
C15H19O9N4ClSSmiles:
Cn1c(C(=O)N[C@H]2[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)cc2c(Cl)ncnc21Aglycone:
COS(O)(O)O.Cn1c(C(N)=O)cc2c(Cl)ncnc21Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.5 |
| AlogP: | -0.69 | Num_rotatable_bonds: | 5 |
| MolWt: | 454.85 | Num_heavy_atoms: | 29 |
| TPSA: | 199.65 | NumAromaticRings: | 2 |
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 |
AD31567
Formula: C9H7ON4Cl
Smiles:
Cn1c(C(N)=O)cc2c(Cl)ncnc21| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 0.72 | Num_rotatable_bonds: | 1 |
| MolWt: | 210.62 | Num_heavy_atoms: | 14 |
| TPSA: | 73.8 | NumAromaticRings: | 2 |
