Glycoside
GD072406
Name:
NoneFormula:
C12H18O8N3ClSSmiles:
Cc1nc(N[C@H]2[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)ncc1ClAglycone:
COS(O)(O)O.Cc1nc(N)ncc1ClSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.64 |
| AlogP: | -0.19 | Num_rotatable_bonds: | 5 |
| MolWt: | 387.8 | Num_heavy_atoms: | 24 |
| TPSA: | 177.65 | 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 |
AD26403
Formula: C6H6N3Cl
Smiles:
Cc1nc(N)ncc1Cl| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | 1.02 | Num_rotatable_bonds: | 0 |
| MolWt: | 143.58 | Num_heavy_atoms: | 9 |
| TPSA: | 51.8 | NumAromaticRings: | 1 |
