Glycoside
GD007719
Name:
NoneFormula:
C12H16O6N3ClSSmiles:
CSc1nc(N[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(Cl)c(=O)[nH]1Aglycone:
CSc1nc(N)c(Cl)c(=O)[nH]1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.64 |
| AlogP: | -1.64 | Num_rotatable_bonds: | 4 |
| MolWt: | 353.78 | Num_heavy_atoms: | 22 |
| TPSA: | 147.93 | NumAromaticRings: | 1 |
Unique Aglycone
AD06257
Formula: C6H6ON3ClS
Smiles:
CSc1nc(N)c(Cl)c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.2 |
| AlogP: | 0.73 | Num_rotatable_bonds: | 1 |
| MolWt: | 191.64 | Num_heavy_atoms: | 11 |
| TPSA: | 71.77 | NumAromaticRings: | 1 |
