Glycoside
GD061171
Name:
NoneFormula:
C12H16O5N3ClSSmiles:
CSc1cnc(Cl)c(N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)n1Aglycone:
CSc1cnc(Cl)c(N)n1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.64 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 4 |
| MolWt: | 337.79 | Num_heavy_atoms: | 21 |
| TPSA: | 127.96 | NumAromaticRings: | 1 |
Unique Aglycone
AD30040
Formula: C6H6N3ClS
Smiles:
CSc1cnc(Cl)c(N)n1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | 1.43 | Num_rotatable_bonds: | 1 |
| MolWt: | 175.64 | Num_heavy_atoms: | 10 |
| TPSA: | 51.8 | NumAromaticRings: | 1 |
