Glycoside
GD087166
Name:
NoneFormula:
C13H19O10N2ClS2Smiles:
Cc1cc(S(=O)(=O)N[C@H]2[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)cnc1ClAglycone:
COS(O)(O)O.Cc1cc(S(N)(=O)=O)cnc1ClSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.58 |
| AlogP: | -0.72 | Num_rotatable_bonds: | 6 |
| MolWt: | 450.88 | Num_heavy_atoms: | 27 |
| TPSA: | 198.9 | 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 |
AD30944
Formula: C7H7O2N2ClS
Smiles:
Cc1cc(S(N)(=O)=O)cnc1Cl| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 0.69 | Num_rotatable_bonds: | 1 |
| MolWt: | 206.65 | Num_heavy_atoms: | 12 |
| TPSA: | 73.05 | NumAromaticRings: | 1 |
