Glycoside
GD091138
Name:
NoneFormula:
C14H18O7N3ClS2Smiles:
C[C@@H]1O[C@@H](OCCNS(=O)(=O)c2c(Cl)nc3sccn23)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=S(=O)(NCCO)c1c(Cl)nc2sccn12Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.62 |
| AlogP: | -0.83 | Num_rotatable_bonds: | 6 |
| MolWt: | 427.89 | Num_heavy_atoms: | 26 |
| TPSA: | 142.62 | NumAromaticRings: | 2 |
Unique Aglycone
AD39729
Formula: C8H8O3N3ClS2
Smiles:
O=S(=O)(NCCO)c1c(Cl)nc2sccn12| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.29 |
| AlogP: | 0.32 | Num_rotatable_bonds: | 4 |
| MolWt: | 281.75 | Num_heavy_atoms: | 16 |
| TPSA: | 83.7 | NumAromaticRings: | 2 |
