Glycoside
GD095715
Name:
NoneFormula:
C15H15O9N3Cl2SSmiles:
N#Cc1c(Cl)cc(C(=O)N[C@H]2[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)nc1ClAglycone:
COS(O)(O)O.N#Cc1c(Cl)cc(C(N)=O)nc1ClSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.46 |
| AlogP: | -0.05 | Num_rotatable_bonds: | 5 |
| MolWt: | 460.25 | Num_heavy_atoms: | 28 |
| TPSA: | 205.62 | 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 |
AD35260
Formula: C9H3ON3Cl2
Smiles:
N#Cc1c(Cl)cc(C(N)=O)nc1Cl| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.36 | Num_rotatable_bonds: | 1 |
| MolWt: | 216.03 | Num_heavy_atoms: | 13 |
| TPSA: | 79.77 | NumAromaticRings: | 1 |
